2,2-bis(2-amino-3-pyridinyl)propanoic acid

C13H14N4O2 — CID 169221732

IUPAC2,2-bis(2-amino-3-pyridinyl)propanoic acid
SMILESCC(C(=O)O)(c1cccnc1N)c1cccnc1N
InChIInChI=1S/C13H14N4O2/c1-13(12(18)19,8-4-2-6-16-10(8)14)9-5-3-7-17-11(9)15/h2-7H,1H3,(H2,14,16)(H2,15,17)(H,18,19)
InChIKeyBJCAYRVSCXNLJM-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.03
Rot. Bonds3

About 2,2-bis(2-amino-3-pyridinyl)propanoic acid

2,2-bis(2-amino-3-pyridinyl)propanoic acid (PubChem CID 169221732) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,2-bis(2-amino-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2,2-bis(2-amino-3-pyridinyl)propanoic acid
PubChem CID169221732
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2,2-bis(2-amino-3-pyridinyl)propanoic acid
SMILESCC(C(=O)O)(c1cccnc1N)c1cccnc1N
InChIInChI=1S/C13H14N4O2/c1-13(12(18)19,8-4-2-6-16-10(8)14)9-5-3-7-17-11(9)15/h2-7H,1H3,(H2,14,16)(H2,15,17)(H,18,19)
InChIKeyBJCAYRVSCXNLJM-UHFFFAOYSA-N
XLogP1.03
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-bis(2-amino-3-pyridinyl)propanoic 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

2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
(2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid
CID 129408361
2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2-[(2-amino-3-pyridinyl)amino]-2-methylpropanamide
CID 104540232
2-(2-amino-3-pyridinyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833119
1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one
CID 64503842
2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 61266117
2-aminopyridine-3-carboxylate
CID 4116530
2-(3-tert-butyl-2-pyridinyl)propan-2-ol
CID 166568505
(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one
CID 103453454
3-[(2-methylpropan-2-yl)oxymethoxy]pyridin-2-amine
CID 20765509

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-amino-3-pyridinyl)propanoic acid?
The IUPAC name of 2,2-bis(2-amino-3-pyridinyl)propanoic acid (CID 169221732) is 2,2-bis(2-amino-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2,2-bis(2-amino-3-pyridinyl)propanoic acid?
The canonical SMILES for 2,2-bis(2-amino-3-pyridinyl)propanoic acid is CC(C(=O)O)(c1cccnc1N)c1cccnc1N.
What is the InChIKey of 2,2-bis(2-amino-3-pyridinyl)propanoic acid?
The InChIKey is BJCAYRVSCXNLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-13(12(18)19,8-4-2-6-16-10(8)14)9-5-3-7-17-11(9)15/h2-7H,1H3,(H2,14,16)(H2,15,17)(H,18,19).
What are the key properties of 2,2-bis(2-amino-3-pyridinyl)propanoic acid?
2,2-bis(2-amino-3-pyridinyl)propanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-amino-3-pyridinyl)propanoic acid is sourced from PubChem (CID 169221732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).