(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid

C9H13N3O2 — CID 169024941

IUPAC(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
SMILESNc1ncccc1CC[C@H](N)C(=O)O
InChIInChI=1S/C9H13N3O2/c10-7(9(13)14)4-3-6-2-1-5-12-8(6)11/h1-2,5,7H,3-4,10H2,(H2,11,12)(H,13,14)/t7-/m0/s1
InChIKeyBEYRKNTYNAKLAA-ZETCQYMHSA-N
MW195.22 g/mol
LogP0.01
Rot. Bonds4

About (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid

(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid (PubChem CID 169024941) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
PubChem CID169024941
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
SMILESNc1ncccc1CC[C@H](N)C(=O)O
InChIInChI=1S/C9H13N3O2/c10-7(9(13)14)4-3-6-2-1-5-12-8(6)11/h1-2,5,7H,3-4,10H2,(H2,11,12)(H,13,14)/t7-/m0/s1
InChIKeyBEYRKNTYNAKLAA-ZETCQYMHSA-N
XLogP0.01
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic 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

4-(2-amino-3-pyridinyl)-2-phenylbutanoic acid
CID 81009181
3-(3-aminopentyl)pyridin-2-amine
CID 64505573
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
3-(3-bromopentyl)pyridin-2-amine
CID 64508308
2-amino-4-pyrimidin-2-ylsulfanylbutanoic acid
CID 63035392
1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one
CID 64503842
2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
CID 84681612
2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69488505
2-amino-4-pyridazin-4-ylbutanoic acid
CID 69404506
2-amino-4-(6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 54353358
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid (CID 169024941) is (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid is Nc1ncccc1CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid?
The InChIKey is BEYRKNTYNAKLAA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-7(9(13)14)4-3-6-2-1-5-12-8(6)11/h1-2,5,7H,3-4,10H2,(H2,11,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid?
(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid is sourced from PubChem (CID 169024941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).