ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate

C13H21NO3 — CID 103839272

IUPACethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C13H21NO3/c1-2-17-12(16)6-5-11(15)14-9-13(7-8-13)10-3-4-10/h10H,2-9H2,1H3,(H,14,15)
InChIKeyPVFIJHVLDOESNH-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.64
Rot. Bonds7

About ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate

ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate (PubChem CID 103839272) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate
PubChem CID103839272
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C13H21NO3/c1-2-17-12(16)6-5-11(15)14-9-13(7-8-13)10-3-4-10/h10H,2-9H2,1H3,(H,14,15)
InChIKeyPVFIJHVLDOESNH-UHFFFAOYSA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-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-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 61150779
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
ethyl 4-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butanoate
CID 60660753
ethyl 4-(2-methylsulfanylethylamino)-4-oxobutanoate
CID 60637595
ethyl 4-(3-methylbut-2-enylamino)-4-oxobutanoate
CID 103528159
4-O-ethyl 1-O-methyl butanedioate
CID 522068
(2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 114096668
ethyl 4-[(2,3-dimethylcyclopentyl)amino]-4-oxobutanoate
CID 64907131
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
ethyl 1-[[(3-ethoxy-3-oxopropanoyl)amino]methyl]cyclopropane-1-carboxylate
CID 69183026
ethyl 4-(2-methoxypropylamino)-4-oxobutanoate
CID 102694605
ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate
CID 115583830

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate (CID 103839272) is ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCC1(C2CC2)CC1.
What is the InChIKey of ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate?
The InChIKey is PVFIJHVLDOESNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-17-12(16)6-5-11(15)14-9-13(7-8-13)10-3-4-10/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate?
ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate has a molecular weight of 239.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-cyclopropylcyclopropyl)methylamino]-4-oxobutanoate is sourced from PubChem (CID 103839272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).