2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid

C14H19NO3S — CID 119172241

IUPAC2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C14H19NO3S/c1-15(10-12(16)17)13(18)14(7-3-2-4-8-14)11-6-5-9-19-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,17)
InChIKeyNTLYACMNXBAWLQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.49
Rot. Bonds4

About 2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid

2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid (PubChem CID 119172241) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid
PubChem CID119172241
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C14H19NO3S/c1-15(10-12(16)17)13(18)14(7-3-2-4-8-14)11-6-5-9-19-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,17)
InChIKeyNTLYACMNXBAWLQ-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119659795
N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435357
N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698469
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90635759
N,N-diethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698462
2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone
CID 131564842
6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
CID 119220064
N',N'-dimethyl-1-thiophen-2-ylcyclopropane-1-carbohydrazide
CID 116848288
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
N-(oxan-4-yl)-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 90554814
2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone
CID 46913895
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid (CID 119172241) is 2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)C1(c2cccs2)CCCCC1.
What is the InChIKey of 2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid?
The InChIKey is NTLYACMNXBAWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-15(10-12(16)17)13(18)14(7-3-2-4-8-14)11-6-5-9-19-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,17).
What are the key properties of 2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid?
2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid has a molecular weight of 281.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-thiophen-2-ylcyclohexanecarbonyl)amino]acetic acid is sourced from PubChem (CID 119172241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).