CAS 636-65-7|(4S)-4-amino-4-carbamoylbutanoic acid|4-Amido-4-Carbamoyl-Butyric Acid|(4S)-4-amino-4-carbamoylbutanoic acid|(4S)-4-amino-4-carbamoylbutanoic acid|(S)-4,5-diamino-5-oxopentanoic acid|4-...

General Information

Structure

Molecular Formula

C₅H₁₀N₂O₃

Molecular Mass

146.1445

Exact Mass

146.06914219

Charge

InChI

InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1

InChIKey

AEFLONBTGZFSGQ-VKHMYHEASA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

LogD (pH = 7.4)

-4.03

LogD (pH = 5.5)

-4.01

Log P

-4.00

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

4.06

Polar Surface Area

106.41

Polarizability

13.77

Molar Refractivity

33.11

LOG S

0.32

Data Source

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(4S)-4-amino-4-carbamoylbutanoic acid gamma-glutamine

Synonyms

4-Amido-4-Carbamoyl-Butyric Acid(4S)-4-amino-4-carbamoylbutanoic acid(S)-4,5-diamino-5-oxopentanoic acid4-amino-L-glutaramic acid(4S)-4,5-diamino-5-oxo-pentanoic acidL-isoglutamineL-glutamic acid alpha-amideH-L-Glu-NH2(4S)-4,5-diamino-5-oxopentanoic acid4-amido-4-carbamoyl-butyric acid

IUPAC name

(4S)-4-amino-4-carbamoylbutanoic acid

Names and Identifiers

Registration numbers

PubChem CID

445883

PubChem SID

1609662424650638585391262

PubMed Citation Links