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

C13H18N2O3S — CID 106319451

IUPACcis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCCc1ccsc1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H18N2O3S/c16-12(17)10-1-2-11(7-10)15-13(18)14-5-3-9-4-6-19-8-9/h4,6,8,10-11H,1-3,5,7H2,(H,16,17)(H2,14,15,18)/t10-,11+/m1/s1
InChIKeyJORYKXYIJDTXBJ-MNOVXSKESA-N
MW282.36 g/mol
LogP1.84
Rot. Bonds5

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

cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106319451) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106319451
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Namecis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCCc1ccsc1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H18N2O3S/c16-12(17)10-1-2-11(7-10)15-13(18)14-5-3-9-4-6-19-8-9/h4,6,8,10-11H,1-3,5,7H2,(H,16,17)(H2,14,15,18)/t10-,11+/m1/s1
InChIKeyJORYKXYIJDTXBJ-MNOVXSKESA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816532
1-(2-oxoazepan-3-yl)-3-(2-thiophen-3-ylethyl)urea
CID 47248756
3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63825588
4-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005819
3-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106039971
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 66355665
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001
3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071458

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106319451) is cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCCc1ccsc1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is JORYKXYIJDTXBJ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-12(17)10-1-2-11(7-10)15-13(18)14-5-3-9-4-6-19-8-9/h4,6,8,10-11H,1-3,5,7H2,(H,16,17)(H2,14,15,18)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).