ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate

C12H21NO3 — CID 63939436

IUPACethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CC1CCC1
InChIInChI=1S/C12H21NO3/c1-3-16-12(15)8-7-11(14)13(2)9-10-5-4-6-10/h10H,3-9H2,1-2H3
InChIKeyQDBFVFVWTKEKNO-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.59
Rot. Bonds6

About ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate

ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate (PubChem CID 63939436) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate
PubChem CID63939436
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CC1CCC1
InChIInChI=1S/C12H21NO3/c1-3-16-12(15)8-7-11(14)13(2)9-10-5-4-6-10/h10H,3-9H2,1-2H3
InChIKeyQDBFVFVWTKEKNO-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide
CID 63631256
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
ethyl N-(cyclopropylmethyl)-N-methylcarbamate
CID 56630392
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391
2-(2-aminoethoxy)-N-(cyclobutylmethyl)-N-methylacetamide
CID 79479227
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278
4-amino-N-(cyclopropylmethyl)-N-methylbutanamide
CID 60946266

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate (CID 63939436) is ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(C)CC1CCC1.
What is the InChIKey of ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate?
The InChIKey is QDBFVFVWTKEKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-16-12(15)8-7-11(14)13(2)9-10-5-4-6-10/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate?
ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate has a molecular weight of 227.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate is sourced from PubChem (CID 63939436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).