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

C13H17NO3S — CID 81361995

IUPAC1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccs1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17NO3S/c15-11(8-10-4-3-7-18-10)14-9-13(12(16)17)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9H2,(H,14,15)(H,16,17)
InChIKeyHBUJGUTZFRXKKH-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.05
Rot. Bonds5

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

1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81361995) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81361995
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccs1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H17NO3S/c15-11(8-10-4-3-7-18-10)14-9-13(12(16)17)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9H2,(H,14,15)(H,16,17)
InChIKeyHBUJGUTZFRXKKH-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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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 81361995) is 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(Cc1cccs1)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HBUJGUTZFRXKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-11(8-10-4-3-7-18-10)14-9-13(12(16)17)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9H2,(H,14,15)(H,16,17).
What are the key properties of 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-thiophen-2-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-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81361995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).