cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C15H18FNO4 — CID 146137048

IUPACcis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1cccc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1F
InChIInChI=1S/C15H18FNO4/c1-21-12-4-2-3-11(13(12)16)8-17-14(18)9-5-6-10(7-9)15(19)20/h2-4,9-10H,5-8H2,1H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1
InChIKeySOYADZKWMBVMAO-ZJUUUORDSA-N
MW295.31 g/mol
LogP1.95
Rot. Bonds5

About cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 146137048) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID146137048
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namecis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1cccc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1F
InChIInChI=1S/C15H18FNO4/c1-21-12-4-2-3-11(13(12)16)8-17-14(18)9-5-6-10(7-9)15(19)20/h2-4,9-10H,5-8H2,1H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1
InChIKeySOYADZKWMBVMAO-ZJUUUORDSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104792773
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760
3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551256
(1S,3S,4S)-4-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-hydroxycyclohexane-1-carboxamide
CID 155508750
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 135102017
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
1-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cycloheptane-1-carboxylic acid
CID 146138199
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
1-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104792772
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 146137048) is cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is COc1cccc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1F.
What is the InChIKey of cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is SOYADZKWMBVMAO-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-12-4-2-3-11(13(12)16)8-17-14(18)9-5-6-10(7-9)15(19)20/h2-4,9-10H,5-8H2,1H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 146137048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).