(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid

C19H18FNO4 — CID 129469534

IUPAC(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C(=O)O)cc1
InChIInChI=1S/C19H18FNO4/c1-25-14-8-4-12(5-9-14)17(19(23)24)21-18(22)16-10-15(16)11-2-6-13(20)7-3-11/h2-9,15-17H,10H2,1H3,(H,21,22)(H,23,24)/t15-,16+,17-/m0/s1
InChIKeyWYNRBHCXCUWQFI-BBWFWOEESA-N
MW343.35 g/mol
LogP2.88
Rot. Bonds6

About (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid

(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid (PubChem CID 129469534) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid
PubChem CID129469534
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C(=O)O)cc1
InChIInChI=1S/C19H18FNO4/c1-25-14-8-4-12(5-9-14)17(19(23)24)21-18(22)16-10-15(16)11-2-6-13(20)7-3-11/h2-9,15-17H,10H2,1H3,(H,21,22)(H,23,24)/t15-,16+,17-/m0/s1
InChIKeyWYNRBHCXCUWQFI-BBWFWOEESA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 110889438
trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95326959
N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 123567569
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84564652
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 129446041
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78832186
cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125154200
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid (CID 129469534) is (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid is COc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid?
The InChIKey is WYNRBHCXCUWQFI-BBWFWOEESA-N. The full InChI is InChI=1S/C19H18FNO4/c1-25-14-8-4-12(5-9-14)17(19(23)24)21-18(22)16-10-15(16)11-2-6-13(20)7-3-11/h2-9,15-17H,10H2,1H3,(H,21,22)(H,23,24)/t15-,16+,17-/m0/s1.
What are the key properties of (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid?
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid has a molecular weight of 343.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 129469534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).