2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid

C11H13ClN2O3 — CID 62818473

IUPAC2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1ccc(Cl)nc1)C(C)(C)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-11(2,10(16)17)14(3)9(15)7-4-5-8(12)13-6-7/h4-6H,1-3H3,(H,16,17)
InChIKeyMKXORFNYJRKGOB-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.67
Rot. Bonds3

About 2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid

2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62818473) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID62818473
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1ccc(Cl)nc1)C(C)(C)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-11(2,10(16)17)14(3)9(15)7-4-5-8(12)13-6-7/h4-6H,1-3H3,(H,16,17)
InChIKeyMKXORFNYJRKGOB-UHFFFAOYSA-N
XLogP1.67
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid
CID 119200444
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
2-[(3-chloro-4-iodobenzoyl)-methylamino]-2-methylpropanoic acid
CID 103219075
2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120518735
2-[(4-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 106703244
6-chloro-N-(4-chlorophenyl)-N-methylpyridine-3-carboxamide
CID 18419490
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 61381204
N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
CID 62923762
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
2-[(3-chloro-5-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 81323987
2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 62817918

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid (CID 62818473) is 2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid is CN(C(=O)c1ccc(Cl)nc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is MKXORFNYJRKGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-11(2,10(16)17)14(3)9(15)7-4-5-8(12)13-6-7/h4-6H,1-3H3,(H,16,17).
What are the key properties of 2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).