4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid

C11H13ClN2O3 — CID 80538436

IUPAC4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)c1cc(Cl)ccn1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-7(11(16)17)2-4-14-10(15)9-6-8(12)3-5-13-9/h3,5-7H,2,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyRQUFVNLSFCFLMO-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.58
Rot. Bonds5

About 4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid

4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 80538436) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
PubChem CID80538436
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)c1cc(Cl)ccn1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-7(11(16)17)2-4-14-10(15)9-6-8(12)3-5-13-9/h3,5-7H,2,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyRQUFVNLSFCFLMO-UHFFFAOYSA-N
XLogP1.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115604084
4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide
CID 115729500
4-[(5-chloro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 82883346
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65283971
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 80538312

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid (CID 80538436) is 4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid is CC(CCNC(=O)c1cc(Cl)ccn1)C(=O)O.
What is the InChIKey of 4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is RQUFVNLSFCFLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7(11(16)17)2-4-14-10(15)9-6-8(12)3-5-13-9/h3,5-7H,2,4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 80538436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).