cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

C14H16FNO4 — CID 120679011

IUPACcis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(F)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H16FNO4/c1-20-12-5-3-9(15)7-11(12)13(17)16-10-4-2-8(6-10)14(18)19/h3,5,7-8,10H,2,4,6H2,1H3,(H,16,17)(H,18,19)/t8-,10+/m1/s1
InChIKeyRKFMYYQGMLFOHE-SCZZXKLOSA-N
MW281.28 g/mol
LogP1.82
Rot. Bonds4

About cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120679011) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120679011
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Namecis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(F)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H16FNO4/c1-20-12-5-3-9(15)7-11(12)13(17)16-10-4-2-8(6-10)14(18)19/h3,5,7-8,10H,2,4,6H2,1H3,(H,16,17)(H,18,19)/t8-,10+/m1/s1
InChIKeyRKFMYYQGMLFOHE-SCZZXKLOSA-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

5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165
cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677489
cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678871
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61160859
cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114173210
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319304
cis-(1R,3S)-3-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120679021
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675150

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120679011) is cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is COc1ccc(F)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is RKFMYYQGMLFOHE-SCZZXKLOSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-12-5-3-9(15)7-11(12)13(17)16-10-4-2-8(6-10)14(18)19/h3,5,7-8,10H,2,4,6H2,1H3,(H,16,17)(H,18,19)/t8-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(5-fluoro-2-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-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120679011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).