2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid

C13H24N2O4 — CID 61428446

IUPAC2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)N1CCOCC1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)7-10(11(16)17)14-12(18)15-5-6-19-8-13(15,3)4/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyPBFCFEHNFASYRH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.31
Rot. Bonds4

About 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid

2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 61428446) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID61428446
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)N1CCOCC1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)7-10(11(16)17)14-12(18)15-5-6-19-8-13(15,3)4/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyPBFCFEHNFASYRH-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic 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-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid (CID 61428446) is 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)N1CCOCC1(C)C)C(=O)O.
What is the InChIKey of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is PBFCFEHNFASYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)7-10(11(16)17)14-12(18)15-5-6-19-8-13(15,3)4/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 272.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 61428446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).