2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid

C12H13ClN2O3 — CID 66464958

IUPAC2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)c1ccncc1Cl)(C(=O)O)C1CC1
InChIInChI=1S/C12H13ClN2O3/c1-12(11(17)18,7-2-3-7)15-10(16)8-4-5-14-6-9(8)13/h4-7H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyHKTSEPKUWCWSEW-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.72
Rot. Bonds4

About 2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid

2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 66464958) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
PubChem CID66464958
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)c1ccncc1Cl)(C(=O)O)C1CC1
InChIInChI=1S/C12H13ClN2O3/c1-12(11(17)18,7-2-3-7)15-10(16)8-4-5-14-6-9(8)13/h4-7H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyHKTSEPKUWCWSEW-UHFFFAOYSA-N
XLogP1.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid (CID 66464958) is 2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid is CC(NC(=O)c1ccncc1Cl)(C(=O)O)C1CC1.
What is the InChIKey of 2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is HKTSEPKUWCWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-12(11(17)18,7-2-3-7)15-10(16)8-4-5-14-6-9(8)13/h4-7H,2-3H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid?
2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 268.70 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 66464958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).