cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

C14H16FNO4 — CID 120675723

IUPACcis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H16FNO4/c1-20-11-4-2-3-10(15)12(11)13(17)16-9-6-5-8(7-9)14(18)19/h2-4,8-9H,5-7H2,1H3,(H,16,17)(H,18,19)/t8-,9+/m0/s1
InChIKeyPCLOQINWSDENPV-DTWKUNHWSA-N
MW281.28 g/mol
LogP1.82
Rot. Bonds4

About cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675723) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120675723
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Namecis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H16FNO4/c1-20-11-4-2-3-10(15)12(11)13(17)16-9-6-5-8(7-9)14(18)19/h2-4,8-9H,5-7H2,1H3,(H,16,17)(H,18,19)/t8-,9+/m0/s1
InChIKeyPCLOQINWSDENPV-DTWKUNHWSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120679011
cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677489
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
CID 118308174
2-[cyclopropylmethyl-[3-[(2-fluoro-6-methoxybenzoyl)amino]cyclobutyl]amino]acetic acid
CID 129008340
methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 104917472

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120675723) is cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is COc1cccc(F)c1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is PCLOQINWSDENPV-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-11-4-2-3-10(15)12(11)13(17)16-9-6-5-8(7-9)14(18)19/h2-4,8-9H,5-7H2,1H3,(H,16,17)(H,18,19)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.82, 4 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-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).