2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid

C11H20N2O4 — CID 79801618

IUPAC2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
SMILESCCC(C)(NC(=O)NC1CCCOC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-11(2,9(14)15)13-10(16)12-8-5-4-6-17-7-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyWKFCBFJGHLNYQU-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds4

About 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid

2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid (PubChem CID 79801618) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
PubChem CID79801618
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
SMILESCCC(C)(NC(=O)NC1CCCOC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-11(2,9(14)15)13-10(16)12-8-5-4-6-17-7-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyWKFCBFJGHLNYQU-UHFFFAOYSA-N
XLogP0.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 79801730
2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801081
2-methyl-2-(oxolan-3-ylamino)butanoic acid
CID 79789858
2-methyl-2-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 103064032
2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801005
3-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361778
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
oxan-3-ylcarbamic acid
CID 68631624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid (CID 79801618) is 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid is CCC(C)(NC(=O)NC1CCCOC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid?
The InChIKey is WKFCBFJGHLNYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-11(2,9(14)15)13-10(16)12-8-5-4-6-17-7-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid?
2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 79801618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).