4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid

C12H18N2O3S — CID 43646109

IUPAC4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)NCc1ccsc1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-8(2)5-10(11(15)16)14-12(17)13-6-9-3-4-18-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyUTMQVNDZWNXDGZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.05
Rot. Bonds6

About 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid

4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 43646109) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid
PubChem CID43646109
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)NCc1ccsc1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-8(2)5-10(11(15)16)14-12(17)13-6-9-3-4-18-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyUTMQVNDZWNXDGZ-UHFFFAOYSA-N
XLogP2.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid (CID 43646109) is 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid is CC(C)CC(NC(=O)NCc1ccsc1)C(=O)O.
What is the InChIKey of 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is UTMQVNDZWNXDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)5-10(11(15)16)14-12(17)13-6-9-3-4-18-7-9/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid?
4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 270.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 43646109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).