2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid

C15H22N2O3S — CID 61199438

IUPAC2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid
SMILESCC(NC(=O)NC(C(=O)O)C1CCCCC1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-10(12-8-5-9-21-12)16-15(20)17-13(14(18)19)11-6-3-2-4-7-11/h5,8-11,13H,2-4,6-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGQRKWYCUFZAQIR-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.14
Rot. Bonds5

About 2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid

2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid (PubChem CID 61199438) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid
PubChem CID61199438
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid
SMILESCC(NC(=O)NC(C(=O)O)C1CCCCC1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-10(12-8-5-9-21-12)16-15(20)17-13(14(18)19)11-6-3-2-4-7-11/h5,8-11,13H,2-4,6-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGQRKWYCUFZAQIR-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid
CID 103257847
2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61195980
(2S)-3-methyl-2-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 61199612
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
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N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
CID 36974814
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408900
2-amino-N-[(1R)-1-cycloheptylethyl]-2-thiophen-2-ylacetamide
CID 115287598

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid (CID 61199438) is 2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid is CC(NC(=O)NC(C(=O)O)C1CCCCC1)c1cccs1.
What is the InChIKey of 2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid?
The InChIKey is GQRKWYCUFZAQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(12-8-5-9-21-12)16-15(20)17-13(14(18)19)11-6-3-2-4-7-11/h5,8-11,13H,2-4,6-7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid?
2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid has a molecular weight of 310.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid is sourced from PubChem (CID 61199438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).