4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid

C19H18FNO4 — CID 124688195

IUPAC4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
SMILESCOc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1C(=O)O
InChIInChI=1S/C19H18FNO4/c1-25-17-8-11(2-7-14(17)19(23)24)10-21-18(22)16-9-15(16)12-3-5-13(20)6-4-12/h2-8,15-16H,9-10H2,1H3,(H,21,22)(H,23,24)/t15-,16+/m1/s1
InChIKeyUIRXEIUQTHYODS-CVEARBPZSA-N
MW343.35 g/mol
LogP2.95
Rot. Bonds6

About 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid

4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid (PubChem CID 124688195) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
PubChem CID124688195
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
SMILESCOc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1C(=O)O
InChIInChI=1S/C19H18FNO4/c1-25-17-8-11(2-7-14(17)19(23)24)10-21-18(22)16-9-15(16)12-3-5-13(20)6-4-12/h2-8,15-16H,9-10H2,1H3,(H,21,22)(H,23,24)/t15-,16+/m1/s1
InChIKeyUIRXEIUQTHYODS-CVEARBPZSA-N
XLogP2.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid with MolForge

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Related Compounds

5-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688305
4-[[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688125
4-[[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688196
5-[[[(1S,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688324
5-[[[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688322
2-methoxy-5-[[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzoic acid
CID 124688311
trans-(1S,2S)-2-(3,4-difluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 99805849
4-[[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 129414926
4-(acetamidomethyl)-2-methoxybenzoic acid
CID 131252000
2-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975161
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid?
The IUPAC name of 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid (CID 124688195) is 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid is COc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1C(=O)O.
What is the InChIKey of 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid?
The InChIKey is UIRXEIUQTHYODS-CVEARBPZSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-25-17-8-11(2-7-14(17)19(23)24)10-21-18(22)16-9-15(16)12-3-5-13(20)6-4-12/h2-8,15-16H,9-10H2,1H3,(H,21,22)(H,23,24)/t15-,16+/m1/s1.
What are the key properties of 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid?
4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid has a molecular weight of 343.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 124688195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).