2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid

C12H17NO2S — CID 61345197

IUPAC2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(C(NC2CCCC2)C(=O)O)s1
InChIInChI=1S/C12H17NO2S/c1-8-6-7-10(16-8)11(12(14)15)13-9-4-2-3-5-9/h6-7,9,11,13H,2-5H2,1H3,(H,14,15)
InChIKeyIRKQMXKEXMFGBX-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.71
Rot. Bonds4

About 2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid

2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid (PubChem CID 61345197) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid
PubChem CID61345197
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid
SMILESCc1ccc(C(NC2CCCC2)C(=O)O)s1
InChIInChI=1S/C12H17NO2S/c1-8-6-7-10(16-8)11(12(14)15)13-9-4-2-3-5-9/h6-7,9,11,13H,2-5H2,1H3,(H,14,15)
InChIKeyIRKQMXKEXMFGBX-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
CID 61345599
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)ethanol
CID 61345205
2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile
CID 61345592
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60997589
ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 61346829
2,2-bis(5-methylthiophen-2-yl)acetic acid
CID 6611979
methyl 2-(cyclopentylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345405
2-(cycloheptylamino)-2-(5-ethylthiophen-2-yl)acetamide
CID 62345928
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61346975

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid (CID 61345197) is 2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid is Cc1ccc(C(NC2CCCC2)C(=O)O)s1.
What is the InChIKey of 2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid?
The InChIKey is IRKQMXKEXMFGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-6-7-10(16-8)11(12(14)15)13-9-4-2-3-5-9/h6-7,9,11,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid?
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid has a molecular weight of 239.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid is sourced from PubChem (CID 61345197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).