2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid

C12H13FN2O3 — CID 114036488

IUPAC2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H13FN2O3/c13-10-5-9(3-4-14-10)12(18)15(7-11(16)17)6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,16,17)
InChIKeyFVYUPSMOZDZAFB-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.16
Rot. Bonds5

About 2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid

2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid (PubChem CID 114036488) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid
PubChem CID114036488
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H13FN2O3/c13-10-5-9(3-4-14-10)12(18)15(7-11(16)17)6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,16,17)
InChIKeyFVYUPSMOZDZAFB-UHFFFAOYSA-N
XLogP1.16
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.16
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-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
CID 81283290
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
CID 43655198
2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63850971
N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide
CID 103101741
2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 63939345
2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 61159892
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
CID 61292713
2-[(4-chloro-2,5-difluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 82782290
2-[cyclopropylmethyl-(4-methylsulfonylbenzoyl)amino]acetic acid
CID 43655089
N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55010203

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid (CID 114036488) is 2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)c1ccnc(F)c1.
What is the InChIKey of 2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid?
The InChIKey is FVYUPSMOZDZAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-10-5-9(3-4-14-10)12(18)15(7-11(16)17)6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid has a molecular weight of 252.24 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 114036488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).