(2S)-2-aminobutanedioate

C4H5NO4-2 — CID 5460541

IUPAC(2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-L
MW131.09 g/mol
LogP-3.80
Rot. Bonds3

About (2S)-2-aminobutanedioate

(2S)-2-aminobutanedioate (PubChem CID 5460541) has the molecular formula C4H5NO4-2 and a molecular weight of 131.09 g/mol. Its IUPAC name is (2S)-2-aminobutanedioate.

Molecular Properties

Compound Name(2S)-2-aminobutanedioate
PubChem CID5460541
Molecular FormulaC4H5NO4-2
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name(2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-L
XLogP-3.80
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-3.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-aminobutanedioate 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-Aspartic Acid
CID 5960
D-Aspartic Acid
CID 83887
(+-)-Aspartic Acid
CID 424
L-aspartate(1-)
CID 5460294
Calcium Aspartate
CID 30465
L-Aspartic acid, potassium salt (1:2)
CID 6454950
L-Aspartic acid, sodium salt (1:2)
CID 21806
Monosodium Aspartate
CID 23672344
L-Aspartic acid, monopotassium salt
CID 23672742
Potassium L-aspartate
CID 23676147
Potassium hydrogen aspartate
CID 76958213
CID 44367445
CID 44367445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanedioate?
The IUPAC name of (2S)-2-aminobutanedioate (CID 5460541) is (2S)-2-aminobutanedioate.
What is the SMILES notation for (2S)-2-aminobutanedioate?
The canonical SMILES for (2S)-2-aminobutanedioate is N[C@@H](CC(=O)[O-])C(=O)[O-].
What is the InChIKey of (2S)-2-aminobutanedioate?
The InChIKey is CKLJMWTZIZZHCS-REOHCLBHSA-L. The full InChI is InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1.
What are the key properties of (2S)-2-aminobutanedioate?
(2S)-2-aminobutanedioate has a molecular weight of 131.09 g/mol, XLogP of -3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanedioate is sourced from PubChem (CID 5460541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).