[(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate

C15H23NO4 — CID 163857556

IUPAC[(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate
SMILESCC(=O)OC(C(=O)NC1CC1)[C@@H](C)C[C@@H]1CCCC1=O
InChIInChI=1S/C15H23NO4/c1-9(8-11-4-3-5-13(11)18)14(20-10(2)17)15(19)16-12-6-7-12/h9,11-12,14H,3-8H2,1-2H3,(H,16,19)/t9-,11-,14?/m0/s1
InChIKeyXLLYDLXCDFWCTB-PEVUIOCQSA-N
MW281.35 g/mol
LogP1.59
Rot. Bonds6

About [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate

[(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate (PubChem CID 163857556) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate.

Molecular Properties

Compound Name[(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate
PubChem CID163857556
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name[(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate
SMILESCC(=O)OC(C(=O)NC1CC1)[C@@H](C)C[C@@H]1CCCC1=O
InChIInChI=1S/C15H23NO4/c1-9(8-11-4-3-5-13(11)18)14(20-10(2)17)15(19)16-12-6-7-12/h9,11-12,14H,3-8H2,1-2H3,(H,16,19)/t9-,11-,14?/m0/s1
InChIKeyXLLYDLXCDFWCTB-PEVUIOCQSA-N
XLogP1.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate with MolForge

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Related Compounds

[(2R)-1-(cyclopropylamino)-3-methyl-1-oxohexan-2-yl] acetate
CID 144658074
[1-oxo-3-(2-oxocyclopentyl)propan-2-yl] acetate
CID 89188542
2-(2-hydroxypropyl)cyclopentan-1-one
CID 79429477
[(3S)-3-amino-1-(cyclopropylamino)-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] acetate
CID 171088245
(3S)-2-hydroxy-3-methyl-4-[(1S)-2-oxocyclopentyl]butanenitrile
CID 163576494
(2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid
CID 69083438
[(3S)-1-(cyclopropylamino)-3-(methoxycarbonylamino)-1-oxohexan-2-yl] acetate
CID 70320225
2-(2-hydroxypropyl)cyclohexan-1-one
CID 15557851
2-(2,5-dimethylhexyl)cyclopentan-1-one
CID 54572047
[(3S)-1-(cyclohexylamino)-3-isocyano-1-oxohexan-2-yl] acetate
CID 154574561
methyl 2-acetamido-3-(2-oxocyclohexyl)propanoate
CID 59471171
ethyl 2-methyl-3-(2-oxocyclohexyl)propanoate;methane;methyl 2-methyl-3-(2-oxocyclohexyl)propanoate
CID 160583363

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate?
The IUPAC name of [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate (CID 163857556) is [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate.
What is the SMILES notation for [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate?
The canonical SMILES for [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate is CC(=O)OC(C(=O)NC1CC1)[C@@H](C)C[C@@H]1CCCC1=O.
What is the InChIKey of [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate?
The InChIKey is XLLYDLXCDFWCTB-PEVUIOCQSA-N. The full InChI is InChI=1S/C15H23NO4/c1-9(8-11-4-3-5-13(11)18)14(20-10(2)17)15(19)16-12-6-7-12/h9,11-12,14H,3-8H2,1-2H3,(H,16,19)/t9-,11-,14?/m0/s1.
What are the key properties of [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate?
[(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate has a molecular weight of 281.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(cyclopropylamino)-3-methyl-1-oxo-4-[(1S)-2-oxocyclopentyl]butan-2-yl] acetate is sourced from PubChem (CID 163857556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).