2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid

C10H18N2O3S — CID 103064184

IUPAC2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)NC1CCSC1)C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-7(9(13)14)5-12(2)10(15)11-8-3-4-16-6-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyQLSWBYJCUYPIFE-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.85
Rot. Bonds4

About 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid

2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid (PubChem CID 103064184) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid
PubChem CID103064184
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)NC1CCSC1)C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-7(9(13)14)5-12(2)10(15)11-8-3-4-16-6-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyQLSWBYJCUYPIFE-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-3-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
CID 107297462
2-methyl-3-[methyl-[(4-propan-2-ylcycloheptyl)carbamoyl]amino]propanoic acid
CID 122010343
3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007231
2-[methyl(thiolan-3-ylcarbamoyl)amino]butanoic acid
CID 103064081
2-methyl-3-[methyl-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 103968098
2-methyl-3-[methyl(spiro[5.5]undecan-3-ylcarbamoyl)amino]propanoic acid
CID 122011341
2-methyl-3-[methyl-[(2-methyloxan-4-yl)carbamoyl]amino]propanoic acid
CID 114108655
2-methyl-3-[methyl(thiane-4-carbonyl)amino]propanoic acid
CID 110837236
2-methyl-3-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]propanoic acid
CID 62409602
1,1-diethyl-3-(thiolan-3-yl)urea
CID 103698014
3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122014139
3-[(4-hydroxy-4-phenylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122009970

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid (CID 103064184) is 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid is CC(CN(C)C(=O)NC1CCSC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid?
The InChIKey is QLSWBYJCUYPIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-7(9(13)14)5-12(2)10(15)11-8-3-4-16-6-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid?
2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid has a molecular weight of 246.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 103064184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).