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

C11H11ClN2O3 — CID 103790725

IUPAC2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccnc(Cl)c1
InChIInChI=1S/C11H11ClN2O3/c12-8-5-7(3-4-13-8)10(15)14-9(11(16)17)6-1-2-6/h3-6,9H,1-2H2,(H,14,15)(H,16,17)
InChIKeyBLIVIMZMIFOTJV-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.33
Rot. Bonds4

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

2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid (PubChem CID 103790725) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid
PubChem CID103790725
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccnc(Cl)c1
InChIInChI=1S/C11H11ClN2O3/c12-8-5-7(3-4-13-8)10(15)14-9(11(16)17)6-1-2-6/h3-6,9H,1-2H2,(H,14,15)(H,16,17)
InChIKeyBLIVIMZMIFOTJV-UHFFFAOYSA-N
XLogP1.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid
CID 62697669
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
CID 61159785
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid (CID 103790725) is 2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid is O=C(NC(C(=O)O)C1CC1)c1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid?
The InChIKey is BLIVIMZMIFOTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-8-5-7(3-4-13-8)10(15)14-9(11(16)17)6-1-2-6/h3-6,9H,1-2H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid?
2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid has a molecular weight of 254.67 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 103790725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).