cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H17NO3 — CID 91900837

IUPACcis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H17NO3/c1-9-4-2-3-5-12(9)15-13(16)10-6-7-11(8-10)14(17)18/h2-5,10-11H,6-8H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m1/s1
InChIKeyQJKZCASIXDQVNY-MNOVXSKESA-N
MW247.29 g/mol
LogP2.43
Rot. Bonds3

About cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 91900837) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID91900837
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namecis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H17NO3/c1-9-4-2-3-5-12(9)15-13(16)10-6-7-11(8-10)14(17)18/h2-5,10-11H,6-8H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m1/s1
InChIKeyQJKZCASIXDQVNY-MNOVXSKESA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
(1S,6S)-3,4-dimethyl-6-[(2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 842157
3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550154
(1S,2R,3R,4S)-3-[(2-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124581479
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150408
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
3-[(3-bromo-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103953226
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
(1R,2R,3R,4R)-3-[(2-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124714769

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 91900837) is cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is QJKZCASIXDQVNY-MNOVXSKESA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-4-2-3-5-12(9)15-13(16)10-6-7-11(8-10)14(17)18/h2-5,10-11H,6-8H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 91900837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).