2-aminopentanedioic acid

C5H9NO4 — CID 611

IUPAC2-aminopentanedioic acid
SMILESNC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyWHUUTDBJXJRKMK-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.74
Rot. Bonds4

About 2-aminopentanedioic acid

2-aminopentanedioic acid (PubChem CID 611) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-aminopentanedioic acid.

Molecular Properties

Compound Name2-aminopentanedioic acid
PubChem CID611
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-aminopentanedioic acid
SMILESNC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyWHUUTDBJXJRKMK-UHFFFAOYSA-N
XLogP-0.74
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-aminopentanedioic acid 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

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
CID 87237505
CID 87237505
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
2-aminopentanedioic acid;ethene
CID 134284547
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid?
The IUPAC name of 2-aminopentanedioic acid (CID 611) is 2-aminopentanedioic acid.
What is the SMILES notation for 2-aminopentanedioic acid?
The canonical SMILES for 2-aminopentanedioic acid is NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminopentanedioic acid?
The InChIKey is WHUUTDBJXJRKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-aminopentanedioic acid?
2-aminopentanedioic acid has a molecular weight of 147.13 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid is sourced from PubChem (CID 611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).