3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid

C13H18N2O3S — CID 115287229

IUPAC3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(C(=O)NC1CCCC(C(=O)O)C1)c1cccs1
InChIInChI=1S/C13H18N2O3S/c14-11(10-5-2-6-19-10)12(16)15-9-4-1-3-8(7-9)13(17)18/h2,5-6,8-9,11H,1,3-4,7,14H2,(H,15,16)(H,17,18)
InChIKeyBHOSXXLFRWSCJU-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.51
Rot. Bonds4

About 3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid

3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115287229) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115287229
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(C(=O)NC1CCCC(C(=O)O)C1)c1cccs1
InChIInChI=1S/C13H18N2O3S/c14-11(10-5-2-6-19-10)12(16)15-9-4-1-3-8(7-9)13(17)18/h2,5-6,8-9,11H,1,3-4,7,14H2,(H,15,16)(H,17,18)
InChIKeyBHOSXXLFRWSCJU-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(oxan-3-yl)-2-thiophen-2-ylacetamide
CID 115287272
2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 113279219
2-amino-N-(oxetan-3-yl)-2-thiophen-2-ylacetamide
CID 115287511
N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116601534
2-amino-2-thiophen-2-yl-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 114096100
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
2-amino-N-(2,4-dimethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287324
2-amino-N-(4-ethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287059
2-amino-N-(6-oxopiperidin-3-yl)-2-thiophen-2-ylacetamide
CID 113279254
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020
2-amino-N-[(1R)-1-cycloheptylethyl]-2-thiophen-2-ylacetamide
CID 115287598

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid (CID 115287229) is 3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid is NC(C(=O)NC1CCCC(C(=O)O)C1)c1cccs1.
What is the InChIKey of 3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BHOSXXLFRWSCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-11(10-5-2-6-19-10)12(16)15-9-4-1-3-8(7-9)13(17)18/h2,5-6,8-9,11H,1,3-4,7,14H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid?
3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115287229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).