2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid

C11H10Cl2N2O3 — CID 62697669

IUPAC2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O3/c12-7-3-6(4-14-9(7)13)10(16)15-8(11(17)18)5-1-2-5/h3-5,8H,1-2H2,(H,15,16)(H,17,18)
InChIKeyNPMKGVZCMKSOQV-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.98
Rot. Bonds4

About 2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid (PubChem CID 62697669) has the molecular formula C11H10Cl2N2O3 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid
PubChem CID62697669
Molecular FormulaC11H10Cl2N2O3
Molecular Weight289.12 g/mol
Exact Mass288.01
IUPAC Name2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O3/c12-7-3-6(4-14-9(7)13)10(16)15-8(11(17)18)5-1-2-5/h3-5,8H,1-2H2,(H,15,16)(H,17,18)
InChIKeyNPMKGVZCMKSOQV-UHFFFAOYSA-N
XLogP1.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.98
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

5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid
CID 103790725
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
5,6-dichloro-N-cyclopropylsulfonylpyridine-3-carboxamide
CID 138986031
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975722
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
CID 62694940
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid (CID 62697669) is 2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid?
The InChIKey is NPMKGVZCMKSOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3/c12-7-3-6(4-14-9(7)13)10(16)15-8(11(17)18)5-1-2-5/h3-5,8H,1-2H2,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid has a molecular weight of 289.12 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 62697669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).