cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

C14H19NO3S — CID 114091889

IUPACcis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC(Cc1cccs1)NC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H19NO3S/c1-9(8-10-4-3-7-19-10)15-13(16)11-5-2-6-12(11)14(17)18/h3-4,7,9,11-12H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t9?,11-,12+/m1/s1
InChIKeyOKRZPZBOHXKQIK-QZNDUUOJSA-N
MW281.38 g/mol
LogP2.30
Rot. Bonds5

About cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114091889) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114091889
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Namecis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC(Cc1cccs1)NC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H19NO3S/c1-9(8-10-4-3-7-19-10)15-13(16)11-5-2-6-12(11)14(17)18/h3-4,7,9,11-12H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t9?,11-,12+/m1/s1
InChIKeyOKRZPZBOHXKQIK-QZNDUUOJSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6R)-6-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962113
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
2-amino-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824515
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 114091890
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)oxolane-2-carboxamide
CID 120787356
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265939
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
CID 32597617
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
2-amino-2-cyclopropyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 60866290

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114091889) is cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is CC(Cc1cccs1)NC(=O)[C@@H]1CCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is OKRZPZBOHXKQIK-QZNDUUOJSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9(8-10-4-3-7-19-10)15-13(16)11-5-2-6-12(11)14(17)18/h3-4,7,9,11-12H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t9?,11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114091889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).