ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate

C13H24N2O3 — CID 115138668

IUPACethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N(C)CCC1CCN(C)C1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)9-12(16)15(3)8-6-11-5-7-14(2)10-11/h11H,4-10H2,1-3H3
InChIKeyYNFMCKCVCBHBCY-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.74
Rot. Bonds6

About ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate

ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate (PubChem CID 115138668) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate
PubChem CID115138668
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N(C)CCC1CCN(C)C1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)9-12(16)15(3)8-6-11-5-7-14(2)10-11/h11H,4-10H2,1-3H3
InChIKeyYNFMCKCVCBHBCY-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]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

N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548
1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide
CID 115172736
ethyl 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-oxobutanoate
CID 63897372
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158360
N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide
CID 115183166
1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115169549
N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide
CID 116845186
2-amino-N,2-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 115152812

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate (CID 115138668) is ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate is CCOC(=O)CC(=O)N(C)CCC1CCN(C)C1.
What is the InChIKey of ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate?
The InChIKey is YNFMCKCVCBHBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-18-13(17)9-12(16)15(3)8-6-11-5-7-14(2)10-11/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate?
ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate has a molecular weight of 256.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate is sourced from PubChem (CID 115138668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).