2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid

C11H20N2O5 — CID 104829180

IUPAC2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-7(11(2,3)4)12-10(18)13(5-8(14)15)6-9(16)17/h7H,5-6H2,1-4H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyCUHMJHSBVBPXIS-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.60
Rot. Bonds5

About 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid

2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 104829180) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid
PubChem CID104829180
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-7(11(2,3)4)12-10(18)13(5-8(14)15)6-9(16)17/h7H,5-6H2,1-4H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyCUHMJHSBVBPXIS-UHFFFAOYSA-N
XLogP0.60
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[carboxymethyl(3,3-dimethylbutan-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-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid (CID 104829180) is 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid is CC(NC(=O)N(CC(=O)O)CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is CUHMJHSBVBPXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(11(2,3)4)12-10(18)13(5-8(14)15)6-9(16)17/h7H,5-6H2,1-4H3,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 104829180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).