(2S)-2-aminopentanedioic acid;azane

C5H12N2O4 — CID 24802175

IUPAC(2S)-2-aminopentanedioic acid;azane
SMILESN.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1
InChIKeyPHKGGXPMPXXISP-DFWYDOINSA-N
MW164.16 g/mol
LogP-0.57
Rot. Bonds4

About (2S)-2-aminopentanedioic acid;azane

(2S)-2-aminopentanedioic acid;azane (PubChem CID 24802175) has the molecular formula C5H12N2O4 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;azane.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;azane
PubChem CID24802175
Molecular FormulaC5H12N2O4
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name(2S)-2-aminopentanedioic acid;azane
SMILESN.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1
InChIKeyPHKGGXPMPXXISP-DFWYDOINSA-N
XLogP-0.57
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-aminopentanedioic acid;azane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Glutamic Acid
CID 33032
D-Glutamic Acid
CID 23327
DL-Glutamic acid
CID 611
Glutamic Acid Hydrochloride
CID 2723891
Monosodium Glutamate
CID 23689119
Sodium Glutamate
CID 23672308
Glutamate(2-)
CID 5128032
N-methyl-L-glutamic acid
CID 439377
Monopotassium glutamate
CID 23695977
Glutamate(1-)
CID 4525487
L-glutamic acid, ion(1-)
CID 5460299
2S,4R-4-Methylglutamate
CID 95883

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;azane?
The IUPAC name of (2S)-2-aminopentanedioic acid;azane (CID 24802175) is (2S)-2-aminopentanedioic acid;azane.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;azane?
The canonical SMILES for (2S)-2-aminopentanedioic acid;azane is N.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminopentanedioic acid;azane?
The InChIKey is PHKGGXPMPXXISP-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1.
What are the key properties of (2S)-2-aminopentanedioic acid;azane?
(2S)-2-aminopentanedioic acid;azane has a molecular weight of 164.16 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;azane is sourced from PubChem (CID 24802175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).