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

C13H17NO3S — CID 113309066

IUPAC1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccsc1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17NO3S/c15-11(7-10-3-6-18-8-10)14-9-13(12(16)17)4-1-2-5-13/h3,6,8H,1-2,4-5,7,9H2,(H,14,15)(H,16,17)
InChIKeyYIWJXYIMTHQJSA-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.05
Rot. Bonds5

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

1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309066) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113309066
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccsc1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17NO3S/c15-11(7-10-3-6-18-8-10)14-9-13(12(16)17)4-1-2-5-13/h3,6,8H,1-2,4-5,7,9H2,(H,14,15)(H,16,17)
InChIKeyYIWJXYIMTHQJSA-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-thiophen-3-ylacetyl)amino]methyl]oxane-4-carboxylic acid
CID 113309985
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361995
1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449344
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 71915475
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-thiophen-3-ylacetamide
CID 65119506
1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450030
1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433600
1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid
CID 66025291

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 113309066) is 1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(Cc1ccsc1)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YIWJXYIMTHQJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-11(7-10-3-6-18-8-10)14-9-13(12(16)17)4-1-2-5-13/h3,6,8H,1-2,4-5,7,9H2,(H,14,15)(H,16,17).
What are the key properties of 1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).