2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid

C15H28N2O5 — CID 54405068

IUPAC2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid
SMILESCCC(CC)(CNC(C)(C)C(=O)O)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O5/c1-7-15(8-2,9-16-13(3,4)11(19)20)10(18)17-14(5,6)12(21)22/h16H,7-9H2,1-6H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyVQCRAFDFKOMVOH-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.23
Rot. Bonds9

About 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid

2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid (PubChem CID 54405068) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid
PubChem CID54405068
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid
SMILESCCC(CC)(CNC(C)(C)C(=O)O)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O5/c1-7-15(8-2,9-16-13(3,4)11(19)20)10(18)17-14(5,6)12(21)22/h16H,7-9H2,1-6H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyVQCRAFDFKOMVOH-UHFFFAOYSA-N
XLogP1.23
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic 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-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid (CID 54405068) is 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid is CCC(CC)(CNC(C)(C)C(=O)O)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid?
The InChIKey is VQCRAFDFKOMVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-7-15(8-2,9-16-13(3,4)11(19)20)10(18)17-14(5,6)12(21)22/h16H,7-9H2,1-6H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid?
2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid has a molecular weight of 316.40 g/mol, XLogP of 1.23, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 54405068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).