2-methyl-2-(propylcarbamoylamino)propanoic acid

C8H16N2O3 — CID 16790848

IUPAC2-methyl-2-(propylcarbamoylamino)propanoic acid
SMILESCCCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-4-5-9-7(13)10-8(2,3)6(11)12/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13)
InChIKeyQVBKHFOBFVWKIN-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.56
Rot. Bonds4

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

2-methyl-2-(propylcarbamoylamino)propanoic acid (PubChem CID 16790848) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-2-(propylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(propylcarbamoylamino)propanoic acid
PubChem CID16790848
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-methyl-2-(propylcarbamoylamino)propanoic acid
SMILESCCCNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-4-5-9-7(13)10-8(2,3)6(11)12/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13)
InChIKeyQVBKHFOBFVWKIN-UHFFFAOYSA-N
XLogP0.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(propylcarbamoylamino)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-(propylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(propylcarbamoylamino)propanoic acid (CID 16790848) is 2-methyl-2-(propylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(propylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(propylcarbamoylamino)propanoic acid is CCCNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(propylcarbamoylamino)propanoic acid?
The InChIKey is QVBKHFOBFVWKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-5-9-7(13)10-8(2,3)6(11)12/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13).
What are the key properties of 2-methyl-2-(propylcarbamoylamino)propanoic acid?
2-methyl-2-(propylcarbamoylamino)propanoic acid has a molecular weight of 188.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylcarbamoylamino)propanoic acid is sourced from PubChem (CID 16790848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).