2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid

C13H24N2O4 — CID 55013336

IUPAC2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)NCC1CCCCO1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-7-13(2,11(16)17)15-12(18)14-9-10-6-4-5-8-19-10/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyKXJQSPIOZZTOOL-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.50
Rot. Bonds6

About 2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid

2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 55013336) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid
PubChem CID55013336
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)NCC1CCCCO1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-7-13(2,11(16)17)15-12(18)14-9-10-6-4-5-8-19-10/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyKXJQSPIOZZTOOL-UHFFFAOYSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic 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-(oxan-2-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid (CID 55013336) is 2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid is CCCC(C)(NC(=O)NCC1CCCCO1)C(=O)O.
What is the InChIKey of 2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is KXJQSPIOZZTOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-7-13(2,11(16)17)15-12(18)14-9-10-6-4-5-8-19-10/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid?
2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 55013336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).