cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid

C13H17NO3S — CID 114091689

IUPACcis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)[C@@H]1CC[C@H](C(=O)O)C1)c1cccs1
InChIInChI=1S/C13H17NO3S/c1-8(11-3-2-6-18-11)14-12(15)9-4-5-10(7-9)13(16)17/h2-3,6,8-10H,4-5,7H2,1H3,(H,14,15)(H,16,17)/t8?,9-,10+/m1/s1
InChIKeyIZJWJBZNJVZHSS-XVBQNVSMSA-N
MW267.35 g/mol
LogP2.43
Rot. Bonds4

About cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114091689) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114091689
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Namecis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)[C@@H]1CC[C@H](C(=O)O)C1)c1cccs1
InChIInChI=1S/C13H17NO3S/c1-8(11-3-2-6-18-11)14-12(15)9-4-5-10(7-9)13(16)17/h2-3,6,8-10H,4-5,7H2,1H3,(H,14,15)(H,16,17)/t8?,9-,10+/m1/s1
InChIKeyIZJWJBZNJVZHSS-XVBQNVSMSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
cis-(1S,3R)-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092124
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
3-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 81392981
2-amino-N-(1-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64822918
2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408900
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
4-[(2-ethyl-1-thiophen-2-ylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673032
3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549956

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114091689) is cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid is CC(NC(=O)[C@@H]1CC[C@H](C(=O)O)C1)c1cccs1.
What is the InChIKey of cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is IZJWJBZNJVZHSS-XVBQNVSMSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8(11-3-2-6-18-11)14-12(15)9-4-5-10(7-9)13(16)17/h2-3,6,8-10H,4-5,7H2,1H3,(H,14,15)(H,16,17)/t8?,9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114091689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).