Benzyl [(1R,3S)-3-aminocyclopent-1-yl]carbamate ethane-1,2-dioate|Benzyl [(1R,3S)-3-aminocyclopent-1-yl]carbamate oxalate|(1R,3S)-Cyclopentane-1,3-diamine oxalate, 1-CBZ protected|oxalic acid benzyl...

General Information

Structure

Molecular Formula

C₁₅H₂₀N₂O₆

Molecular Mass

324.3291

Exact Mass

324.13213637

Charge

InChI

InChI=1S/C13H18N2O2.C2H2O4/c14-11-6-7-12(8-11)15-13(16)17-9-10-4-2-1-3-5-10;3-1(4)2(5)6/h1-5,11-12H,6-9,14H2,(H,15,16);(H,3,4)(H,5,6)/t11-,12+;/m0./s1

InChIKey

PGZADXFZPBXGCF-ZVWHLABXSA-N

Canonic Smiles

OC(=O)C(=O)O.N[C@H]1CC[C@H](C1)NC(=O)OCc1ccccc1

Isomeric Smiles

C(=O)(N[C@H]1C[C@@H](N)CC1)OCc1ccccc1.C(=O)(C(=O)O)O

Calculated Properties

JChem

Acid pKa

15.107991

H Acceptors

H Donor

LogD (pH = 5.5)

-1.6933169

LogD (pH = 7.4)

-1.14415

Log P

1.3254595

Molar Refractivity

65.2954

Polarizability

25.9112

Polar Surface Area

64.35

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

oxalic acid benzyl N-[(1R,3S)-3-aminocyclopentyl]carbamate

Synonyms

Benzyl [(1R,3S)-3-aminocyclopent-1-yl]carbamate oxalateBenzyl [(1R,3S)-3-aminocyclopent-1-yl]carbamate ethane-1,2-dioate(1R,3S)-Cyclopentane-1,3-diamine oxalate, 1-CBZ protectedbenzyl N-[(1R,3S)-3-aminocyclopentyl]carbamate oxalateBenzyl N-[(1R,3S)-3-aminocyclopentyl]-carbamate oxalate

IUPAC Traditional name

oxalic acid benzyl N-[(1R,3S)-3-aminocyclopentyl]carbamate

Names and Identifiers

Registration numbers

PubChem SID

162031689

PubChem CID

66545225

MDL Number

MFCD22126137

Registration numbers

Properties