ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate

C13H23NO4 — CID 63717734

IUPACethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CC1CCCOC1
InChIInChI=1S/C13H23NO4/c1-3-18-13(16)7-6-12(15)14(2)9-11-5-4-8-17-10-11/h11H,3-10H2,1-2H3
InChIKeyYPFNESHZGSRPQH-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.21
Rot. Bonds6

About ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate

ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate (PubChem CID 63717734) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
PubChem CID63717734
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CC1CCCOC1
InChIInChI=1S/C13H23NO4/c1-3-18-13(16)7-6-12(15)14(2)9-11-5-4-8-17-10-11/h11H,3-10H2,1-2H3
InChIKeyYPFNESHZGSRPQH-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate 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

ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate
CID 63939436
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63706765
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
2-(cyclopentylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63712361
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 78949570
2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-2-propylpentanamide
CID 63711195
propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
CID 116656071
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
2-(aminomethyl)-2-ethyl-N-methyl-N-(oxan-3-ylmethyl)butanamide
CID 55227786

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate (CID 63717734) is ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(C)CC1CCCOC1.
What is the InChIKey of ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate?
The InChIKey is YPFNESHZGSRPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-18-13(16)7-6-12(15)14(2)9-11-5-4-8-17-10-11/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate?
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate has a molecular weight of 257.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate is sourced from PubChem (CID 63717734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).