methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate

C11H19NO4 — CID 61009322

IUPACmethyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C1CCCO1
InChIInChI=1S/C11H19NO4/c1-3-12(7-6-10(13)15-2)11(14)9-5-4-8-16-9/h9H,3-8H2,1-2H3
InChIKeyCMNSXTVOXYVLNK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.58
Rot. Bonds5

About methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate

methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate (PubChem CID 61009322) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
PubChem CID61009322
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C1CCCO1
InChIInChI=1S/C11H19NO4/c1-3-12(7-6-10(13)15-2)11(14)9-5-4-8-16-9/h9H,3-8H2,1-2H3
InChIKeyCMNSXTVOXYVLNK-UHFFFAOYSA-N
XLogP0.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate 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

3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
CID 62213143
methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
CID 103852349
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
CID 55151948
methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79762794
methyl 4-[methyl(oxane-2-carbonyl)amino]butanoate
CID 55048143
N,N-dibutyloxolane-2-carboxamide
CID 3414196
N-ethyl-N-prop-2-enyloxolane-2-carboxamide
CID 84558498
3-[2-methylpropyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 95538874
3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 104855658
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
CID 78808324

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate (CID 61009322) is methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)C1CCCO1.
What is the InChIKey of methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate?
The InChIKey is CMNSXTVOXYVLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-12(7-6-10(13)15-2)11(14)9-5-4-8-16-9/h9H,3-8H2,1-2H3.
What are the key properties of methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate?
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate has a molecular weight of 229.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate is sourced from PubChem (CID 61009322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).