cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid

C15H18FNO5 — CID 120677489

IUPACcis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(F)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1OC
InChIInChI=1S/C15H18FNO5/c1-21-12-6-10(11(16)7-13(12)22-2)14(18)17-9-4-3-8(5-9)15(19)20/h6-9H,3-5H2,1-2H3,(H,17,18)(H,19,20)/t8-,9+/m1/s1
InChIKeyXMVAFXOJWLLXFQ-BDAKNGLRSA-N
MW311.31 g/mol
LogP1.83
Rot. Bonds5

About cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120677489) has the molecular formula C15H18FNO5 and a molecular weight of 311.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120677489
Molecular FormulaC15H18FNO5
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Namecis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(F)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1OC
InChIInChI=1S/C15H18FNO5/c1-21-12-6-10(11(16)7-13(12)22-2)14(18)17-9-4-3-8(5-9)15(19)20/h6-9H,3-5H2,1-2H3,(H,17,18)(H,19,20)/t8-,9+/m1/s1
InChIKeyXMVAFXOJWLLXFQ-BDAKNGLRSA-N
XLogP1.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120679011
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114173210
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678871
cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319304
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675150
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
2-fluoro-4,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576347
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120677489) is cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid is COc1cc(F)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1OC.
What is the InChIKey of cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is XMVAFXOJWLLXFQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C15H18FNO5/c1-21-12-6-10(11(16)7-13(12)22-2)14(18)17-9-4-3-8(5-9)15(19)20/h6-9H,3-5H2,1-2H3,(H,17,18)(H,19,20)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 311.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).