CAS 62965-35-9|(2S)-2-[(tert-butoxycarbonyl)amino]-3,3-dimethylbutanoic acid|(2S)-2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acid|Boc-L-alpha-t-butylglycine|N-tert-Butoxycarbonyl-L-tert-b...

General Information

Structure

Molecular Formula

C₁₁H₂₁NO₄

Molecular Mass

231.28874

Exact Mass

231.14705816

Charge

InChI

InChI=1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1

InChIKey

LRFZIPCTFBPFLX-SSDOTTSWSA-N

Canonic Smiles

O=C(OC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)O

Isomeric Smiles

C([C@@H](C(=O)O)NC(=O)OC(C)(C)C)(C)(C)C

Calculated Properties

JChem

Acid pKa

4.191117

H Acceptors

H Donor

LogD (pH = 5.5)

0.85178614

LogD (pH = 7.4)

-0.86059886

Log P

2.1788821

Molar Refractivity

58.764

Polarizability

23.466265

Polar Surface Area

75.63

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(2S)-2-[(tert-butoxycarbonyl)amino]-3,3-dimethylbutanoic acid

IUPAC name

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acid

Synonyms

Boc-L-alpha-t-butylglycineN-tert-Butoxycarbonyl-L-tert-butylglycine(S)-2-tert-Butoxycarbonylamino-3,3-dimethylbutyric Acid(2S)-2-(tert-Butoxycarbonylamino)-3,3-dimethylbutanoic AcidN-Boc-L-tert-leucineN-tert-Butoxycarbonyl-L-tert-leucine(S)-2-(((tert-Butoxy)carbonyl)amino)-3,3-dimethylbutanoic AcidBoc-L-tert-leucineBoc-Tle-OH(S)-N-Boc-2-氨基-3,3-二甲基丁酸(S)-N-Boc-2-amino-3,3-dimethylbutyric acidBoc-L-叔亮氨酸N-tert-Butoxycarbonyl-L-leucineBoc-L-tert-LeucineN-Boc-L-tert-leucineBoc-Tle-OHN-Boc-L-叔-亮氨酸(2S)-2-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylbutanoic acid

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Beilstein Number