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

C14H16FNO3 — CID 97318365

IUPACcis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)ccc1F
InChIInChI=1S/C14H16FNO3/c1-8-6-9(3-5-12(8)15)13(17)16-11-4-2-10(7-11)14(18)19/h3,5-6,10-11H,2,4,7H2,1H3,(H,16,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyOLKGZYZGFRLNEW-MNOVXSKESA-N
MW265.28 g/mol
LogP2.12
Rot. Bonds3

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

cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 97318365) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID97318365
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Namecis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)ccc1F
InChIInChI=1S/C14H16FNO3/c1-8-6-9(3-5-12(8)15)13(17)16-11-4-2-10(7-11)14(18)19/h3,5-6,10-11H,2,4,7H2,1H3,(H,16,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyOLKGZYZGFRLNEW-MNOVXSKESA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678433
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
4-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664
N-(1,1-dioxothian-4-yl)-4-fluoro-3-methylbenzamide
CID 63212616
4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210093
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 97318365) is cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)ccc1F.
What is the InChIKey of cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OLKGZYZGFRLNEW-MNOVXSKESA-N. The full InChI is InChI=1S/C14H16FNO3/c1-8-6-9(3-5-12(8)15)13(17)16-11-4-2-10(7-11)14(18)19/h3,5-6,10-11H,2,4,7H2,1H3,(H,16,17)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.12, 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-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 97318365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).