4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid

C9H15NO3 — CID 115909710

IUPAC4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
SMILESCN(C(=O)CCC(=O)O)C1CCC1
InChIInChI=1S/C9H15NO3/c1-10(7-3-2-4-7)8(11)5-6-9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyNLTHKBIVTOPFSA-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.86
Rot. Bonds4

About 4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid

4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid (PubChem CID 115909710) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
PubChem CID115909710
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
SMILESCN(C(=O)CCC(=O)O)C1CCC1
InChIInChI=1S/C9H15NO3/c1-10(7-3-2-4-7)8(11)5-6-9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyNLTHKBIVTOPFSA-UHFFFAOYSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
4-[(4-ethylcyclohexyl)-methylamino]-4-oxobutanoic acid
CID 54907859
4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 43578327
N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643
N-cyclohexyl-3-cyclopentyl-N-methylpropanamide
CID 86976959
3-cyano-N-cyclopentyl-N-methylpropanamide
CID 115173721
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82327378
4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115277300
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
6-amino-N-cyclopentyl-N-methylhexanamide
CID 43267226

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid (CID 115909710) is 4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid is CN(C(=O)CCC(=O)O)C1CCC1.
What is the InChIKey of 4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid?
The InChIKey is NLTHKBIVTOPFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10(7-3-2-4-7)8(11)5-6-9(12)13/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid?
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 115909710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).