2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid

C11H19NO4 — CID 114898209

IUPAC2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N(C)CC1CCCCO1
InChIInChI=1S/C11H19NO4/c1-8(11(14)15)10(13)12(2)7-9-5-3-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyGAOQAARLGKXIPH-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds4

About 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid

2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid (PubChem CID 114898209) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
PubChem CID114898209
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N(C)CC1CCCCO1
InChIInChI=1S/C11H19NO4/c1-8(11(14)15)10(13)12(2)7-9-5-3-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyGAOQAARLGKXIPH-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic 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

N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55096980
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 79407615
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436490
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
(2R)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 80756732
N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61436363
3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
CID 62876627
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid?
The IUPAC name of 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid (CID 114898209) is 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid is CC(C(=O)O)C(=O)N(C)CC1CCCCO1.
What is the InChIKey of 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid?
The InChIKey is GAOQAARLGKXIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(11(14)15)10(13)12(2)7-9-5-3-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid?
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 114898209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).