5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid

C10H13N3O3 — CID 79022911

IUPAC5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
SMILESCC[C@H](N)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H13N3O3/c1-2-8(11)9(14)13-7-3-6(10(15)16)4-12-5-7/h3-5,8H,2,11H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyNGZBMPRYMQTELX-QMMMGPOBSA-N
MW223.23 g/mol
LogP0.46
Rot. Bonds4

About 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid

5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid (PubChem CID 79022911) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
PubChem CID79022911
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
SMILESCC[C@H](N)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H13N3O3/c1-2-8(11)9(14)13-7-3-6(10(15)16)4-12-5-7/h3-5,8H,2,11H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyNGZBMPRYMQTELX-QMMMGPOBSA-N
XLogP0.46
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic 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

5-(2-aminopentanoylamino)pyridine-3-carboxylic acid
CID 55164466
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
CID 63154469
5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 103869217
5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid
CID 81079129
2-amino-N-(2-methylpyrimidin-5-yl)butanamide
CID 83617934
4-(2-aminobutanoylamino)-3,5-dichlorobenzoic acid
CID 82831163
dimethyl 5-[[(2S)-2-aminobutanoyl]amino]benzene-1,3-dicarboxylate;hydrochloride
CID 119263133
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid (CID 79022911) is 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid is CC[C@H](N)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is NGZBMPRYMQTELX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-8(11)9(14)13-7-3-6(10(15)16)4-12-5-7/h3-5,8H,2,11H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1.
What are the key properties of 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid?
5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 79022911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).