methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate

C13H23NO3 — CID 23384179

IUPACmethyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCC1(C)CCCC1
InChIInChI=1S/C13H23NO3/c1-13(7-3-4-8-13)9-10-14-11(15)5-6-12(16)17-2/h3-10H2,1-2H3,(H,14,15)
InChIKeySEJUUPOONGKJEE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.03
Rot. Bonds6

About methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate

methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate (PubChem CID 23384179) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate
PubChem CID23384179
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCC1(C)CCCC1
InChIInChI=1S/C13H23NO3/c1-13(7-3-4-8-13)9-10-14-11(15)5-6-12(16)17-2/h3-10H2,1-2H3,(H,14,15)
InChIKeySEJUUPOONGKJEE-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate
CID 177097528
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
methyl 4-(hexylamino)-4-oxobutanoate
CID 108797523
methyl 4-[[3-(butylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 159597212
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride
CID 119291127
2-methoxy-N-[(1-methylcyclopentyl)methyl]acetamide
CID 63822122

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate?
The IUPAC name of methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate (CID 23384179) is methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate is COC(=O)CCC(=O)NCCC1(C)CCCC1.
What is the InChIKey of methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate?
The InChIKey is SEJUUPOONGKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(7-3-4-8-13)9-10-14-11(15)5-6-12(16)17-2/h3-10H2,1-2H3,(H,14,15).
What are the key properties of methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate?
methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate has a molecular weight of 241.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate is sourced from PubChem (CID 23384179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).