2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid

C10H20N2O3 — CID 43372502

IUPAC2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(C)CC(C)NC(=O)N(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)5-8(3)11-10(15)12(4)6-9(13)14/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyZKFPGHQSGCERBG-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.15
Rot. Bonds5

About 2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid

2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 43372502) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
PubChem CID43372502
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(C)CC(C)NC(=O)N(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)5-8(3)11-10(15)12(4)6-9(13)14/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyZKFPGHQSGCERBG-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic 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(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid (CID 43372502) is 2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid is CC(C)CC(C)NC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is ZKFPGHQSGCERBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)5-8(3)11-10(15)12(4)6-9(13)14/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14).
What are the key properties of 2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 43372502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).