methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate

C12H21NO3 — CID 115174643

IUPACmethyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-13(10-6-4-3-5-7-10)11(14)8-9-12(15)16-2/h10H,3-9H2,1-2H3
InChIKeySYYNOPNWUJPPHN-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.73
Rot. Bonds4

About methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate

methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate (PubChem CID 115174643) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
PubChem CID115174643
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-13(10-6-4-3-5-7-10)11(14)8-9-12(15)16-2/h10H,3-9H2,1-2H3
InChIKeySYYNOPNWUJPPHN-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710
N-cyclohexyl-3-cyclopentyl-N-methylpropanamide
CID 86976959
N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate
CID 115138534
7-amino-N-cycloheptyl-N-methylheptanamide
CID 43614064
methyl 3-[cyclopentyl(propanoyl)amino]propanoate
CID 48865277
7-amino-N-cyclooctyl-N-methylheptanamide
CID 119763844
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978
methyl 4-cyclooctyl-4-oxobutanoate
CID 155214467

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate?
The IUPAC name of methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate (CID 115174643) is methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate is COC(=O)CCC(=O)N(C)C1CCCCC1.
What is the InChIKey of methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate?
The InChIKey is SYYNOPNWUJPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-13(10-6-4-3-5-7-10)11(14)8-9-12(15)16-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate?
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate has a molecular weight of 227.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate is sourced from PubChem (CID 115174643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).