2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid

C12H17NO2S — CID 80996502

IUPAC2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
SMILESCN(CCc1cccs1)C1CCC1C(=O)O
InChIInChI=1S/C12H17NO2S/c1-13(7-6-9-3-2-8-16-9)11-5-4-10(11)12(14)15/h2-3,8,10-11H,4-7H2,1H3,(H,14,15)
InChIKeyZTWIGGALMPVZMP-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.09
Rot. Bonds5

About 2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid

2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 80996502) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
PubChem CID80996502
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
SMILESCN(CCc1cccs1)C1CCC1C(=O)O
InChIInChI=1S/C12H17NO2S/c1-13(7-6-9-3-2-8-16-9)11-5-4-10(11)12(14)15/h2-3,8,10-11H,4-7H2,1H3,(H,14,15)
InChIKeyZTWIGGALMPVZMP-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975012
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
CID 79486799
4-methyl-2-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 81020795
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
CID 114762644
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609
4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390819
2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978324

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid (CID 80996502) is 2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid is CN(CCc1cccs1)C1CCC1C(=O)O.
What is the InChIKey of 2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is ZTWIGGALMPVZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-13(7-6-9-3-2-8-16-9)11-5-4-10(11)12(14)15/h2-3,8,10-11H,4-7H2,1H3,(H,14,15).
What are the key properties of 2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid?
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 239.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80996502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).