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

C14H15F2NO3 — CID 106321294

IUPACcis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(F)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1F
InChIInChI=1S/C14H15F2NO3/c1-7-2-5-10(15)11(12(7)16)13(18)17-9-4-3-8(6-9)14(19)20/h2,5,8-9H,3-4,6H2,1H3,(H,17,18)(H,19,20)/t8-,9+/m1/s1
InChIKeyCFVBKQHYWYOYNC-BDAKNGLRSA-N
MW283.27 g/mol
LogP2.26
Rot. Bonds3

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

cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106321294) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106321294
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Namecis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(F)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1F
InChIInChI=1S/C14H15F2NO3/c1-7-2-5-10(15)11(12(7)16)13(18)17-9-4-3-8(6-9)14(19)20/h2,5,8-9H,3-4,6H2,1H3,(H,17,18)(H,19,20)/t8-,9+/m1/s1
InChIKeyCFVBKQHYWYOYNC-BDAKNGLRSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
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
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
2,3,6-trifluoro-N-(3-methylsulfanylcyclopentyl)benzamide
CID 86816211
2,3,6-trifluoro-N-[(1R,3S)-3-methylsulfanylcyclopentyl]benzamide
CID 99616260
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320098
cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675824

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 106321294) is cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc(F)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1F.
What is the InChIKey of cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CFVBKQHYWYOYNC-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-7-2-5-10(15)11(12(7)16)13(18)17-9-4-3-8(6-9)14(19)20/h2,5,8-9H,3-4,6H2,1H3,(H,17,18)(H,19,20)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 283.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).