2-methyl-2-(methylcarbamoylamino)propanoic acid

C6H12N2O3 — CID 16783138

IUPAC2-methyl-2-(methylcarbamoylamino)propanoic acid
SMILESCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-6(2,4(9)10)8-5(11)7-3/h1-3H3,(H,9,10)(H2,7,8,11)
InChIKeyTULRPXJUYUTDBL-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.22
Rot. Bonds2

About 2-methyl-2-(methylcarbamoylamino)propanoic acid

2-methyl-2-(methylcarbamoylamino)propanoic acid (PubChem CID 16783138) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-methyl-2-(methylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylcarbamoylamino)propanoic acid
PubChem CID16783138
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-methyl-2-(methylcarbamoylamino)propanoic acid
SMILESCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-6(2,4(9)10)8-5(11)7-3/h1-3H3,(H,9,10)(H2,7,8,11)
InChIKeyTULRPXJUYUTDBL-UHFFFAOYSA-N
XLogP-0.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(methylcarbamoylamino)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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(methylcarbamoylamino)propanoic acid (CID 16783138) is 2-methyl-2-(methylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(methylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(methylcarbamoylamino)propanoic acid is CNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylcarbamoylamino)propanoic acid?
The InChIKey is TULRPXJUYUTDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-6(2,4(9)10)8-5(11)7-3/h1-3H3,(H,9,10)(H2,7,8,11).
What are the key properties of 2-methyl-2-(methylcarbamoylamino)propanoic acid?
2-methyl-2-(methylcarbamoylamino)propanoic acid has a molecular weight of 160.17 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylcarbamoylamino)propanoic acid is sourced from PubChem (CID 16783138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).