1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

C12H16N2O3S — CID 43646099

IUPAC1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccsc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H16N2O3S/c15-10(16)12(4-1-2-5-12)14-11(17)13-7-9-3-6-18-8-9/h3,6,8H,1-2,4-5,7H2,(H,15,16)(H2,13,14,17)
InChIKeyWDRYGYBQPLVDLP-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.94
Rot. Bonds4

About 1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 43646099) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID43646099
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCc1ccsc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H16N2O3S/c15-10(16)12(4-1-2-5-12)14-11(17)13-7-9-3-6-18-8-9/h3,6,8H,1-2,4-5,7H2,(H,15,16)(H2,13,14,17)
InChIKeyWDRYGYBQPLVDLP-UHFFFAOYSA-N
XLogP1.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 43646099) is 1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCc1ccsc1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WDRYGYBQPLVDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-10(16)12(4-1-2-5-12)14-11(17)13-7-9-3-6-18-8-9/h3,6,8H,1-2,4-5,7H2,(H,15,16)(H2,13,14,17).
What are the key properties of 1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43646099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).