2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid

C12H13BrN2O3 — CID 107516988

IUPAC2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)c1ncccc1Br)(C(=O)O)C1CC1
InChIInChI=1S/C12H13BrN2O3/c1-12(11(17)18,7-4-5-7)15-10(16)9-8(13)3-2-6-14-9/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyBHNZMUKAMGJTFD-UHFFFAOYSA-N
MW313.15 g/mol
LogP1.83
Rot. Bonds4

About 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid

2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 107516988) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid
PubChem CID107516988
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)c1ncccc1Br)(C(=O)O)C1CC1
InChIInChI=1S/C12H13BrN2O3/c1-12(11(17)18,7-4-5-7)15-10(16)9-8(13)3-2-6-14-9/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyBHNZMUKAMGJTFD-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic 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

3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107517143
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 107519069
2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid
CID 61185585
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid
CID 43163063
3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
CID 107519206
3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide
CID 107519381
3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 107519432
3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 107519323
3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 107519431
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 107519435

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid (CID 107516988) is 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid is CC(NC(=O)c1ncccc1Br)(C(=O)O)C1CC1.
What is the InChIKey of 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is BHNZMUKAMGJTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c1-12(11(17)18,7-4-5-7)15-10(16)9-8(13)3-2-6-14-9/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid?
2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 313.15 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 107516988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).