2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C13H12FNO5 — CID 60941976

IUPAC2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOC(=O)c1ccc(F)cc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C13H12FNO5/c1-20-13(19)7-3-2-6(14)4-10(7)15-11(16)8-5-9(8)12(17)18/h2-4,8-9H,5H2,1H3,(H,15,16)(H,17,18)
InChIKeyAHFMKOBUZUTSSB-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.27
Rot. Bonds4

About 2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60941976) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60941976
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOC(=O)c1ccc(F)cc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C13H12FNO5/c1-20-13(19)7-3-2-6(14)4-10(7)15-11(16)8-5-9(8)12(17)18/h2-4,8-9H,5H2,1H3,(H,15,16)(H,17,18)
InChIKeyAHFMKOBUZUTSSB-UHFFFAOYSA-N
XLogP1.27
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63715623
trans-(1R,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100103
(1R,6R)-6-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1294511
dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate
CID 1010270
methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143902
methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate
CID 43701749
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111
methyl 2-[(1-aminocyclopropanecarbonyl)amino]-4-fluorobenzoate
CID 65464443
2-[[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119185192
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 138013256

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60941976) is 2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is COC(=O)c1ccc(F)cc1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is AHFMKOBUZUTSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c1-20-13(19)7-3-2-6(14)4-10(7)15-11(16)8-5-9(8)12(17)18/h2-4,8-9H,5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 281.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60941976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).