2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid

C12H15ClN2O3 — CID 62032806

IUPAC2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H15ClN2O3/c1-8(2)6-15(7-11(16)17)12(18)9-3-4-10(13)14-5-9/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyYUSCQMABBKMIBH-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.92
Rot. Bonds5

About 2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 62032806) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID62032806
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H15ClN2O3/c1-8(2)6-15(7-11(16)17)12(18)9-3-4-10(13)14-5-9/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyYUSCQMABBKMIBH-UHFFFAOYSA-N
XLogP1.92
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.92
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

6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258051
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 120517194
2-[[6-[5-[bis(carboxymethyl)carbamoyl]-2-pyridinyl]pyridine-3-carbonyl]-(carboxymethyl)amino]acetic acid
CID 101054460
N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
CID 62923762
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid
CID 55147819
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 62032806) is 2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is YUSCQMABBKMIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(2)6-15(7-11(16)17)12(18)9-3-4-10(13)14-5-9/h3-5,8H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 270.72 g/mol, XLogP of 1.92, 5 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)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 62032806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).