ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate

C10H17NO3 — CID 115138534

IUPACethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N(C)C1CCC1
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)7-9(12)11(2)8-5-4-6-8/h8H,3-7H2,1-2H3
InChIKeyOMECFXYGADOITP-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds4

About ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate

ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate (PubChem CID 115138534) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate
PubChem CID115138534
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N(C)C1CCC1
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)7-9(12)11(2)8-5-4-6-8/h8H,3-7H2,1-2H3
InChIKeyOMECFXYGADOITP-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate 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 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
butyl 3-[cyclohexyl(methyl)amino]-3-oxopropanoate
CID 57064221
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978
ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate
CID 121438943
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643
N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792
ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate
CID 10057807
methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
CID 62011161
N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide
CID 166451751
2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide
CID 79474162
methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate (CID 115138534) is ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate is CCOC(=O)CC(=O)N(C)C1CCC1.
What is the InChIKey of ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate?
The InChIKey is OMECFXYGADOITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-10(13)7-9(12)11(2)8-5-4-6-8/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate?
ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate has a molecular weight of 199.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate is sourced from PubChem (CID 115138534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).