1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid

C15H22N2O3S — CID 82765533

IUPAC1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(Cc1cccs1)NC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H22N2O3S/c1-10(9-11-5-4-8-21-11)16-14(20)17-12-6-3-7-15(12,2)13(18)19/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyOGDUFBOGPOYFCI-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.62
Rot. Bonds5

About 1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 82765533) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID82765533
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(Cc1cccs1)NC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H22N2O3S/c1-10(9-11-5-4-8-21-11)16-14(20)17-12-6-3-7-15(12,2)13(18)19/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyOGDUFBOGPOYFCI-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 82764933
cis-methyl (1S,3R)-3-[[(2R)-1-thiophen-2-ylpropan-2-yl]carbamoylamino]cyclopentane-1-carboxylate
CID 99842691
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091889
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
CID 124508146
1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 113311585
cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 114091890
3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171570
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171571
(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 82765533) is 1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid is CC(Cc1cccs1)NC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is OGDUFBOGPOYFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(9-11-5-4-8-21-11)16-14(20)17-12-6-3-7-15(12,2)13(18)19/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).