1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C11H11FN2O3 — CID 115496541

IUPAC1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cccc(F)n1
InChIInChI=1S/C11H11FN2O3/c12-8-3-1-2-7(14-8)9(15)13-6-11(4-5-11)10(16)17/h1-3H,4-6H2,(H,13,15)(H,16,17)
InChIKeyZPSWYGUPRRHUKN-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.82
Rot. Bonds4

About 1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115496541) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115496541
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cccc(F)n1
InChIInChI=1S/C11H11FN2O3/c12-8-3-1-2-7(14-8)9(15)13-6-11(4-5-11)10(16)17/h1-3H,4-6H2,(H,13,15)(H,16,17)
InChIKeyZPSWYGUPRRHUKN-UHFFFAOYSA-N
XLogP0.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.82
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

6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
CID 109389046
2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 115496519
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 113342974
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
4-[[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542907
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449917
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104638379
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115496541) is 1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1cccc(F)n1.
What is the InChIKey of 1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZPSWYGUPRRHUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-8-3-1-2-7(14-8)9(15)13-6-11(4-5-11)10(16)17/h1-3H,4-6H2,(H,13,15)(H,16,17).
What are the key properties of 1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 238.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115496541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).