5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one

C12H23NO2 — CID 20726917

IUPAC5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one
SMILESCC(C)CC(N)C1CC(C(C)C)C(=O)O1
InChIInChI=1S/C12H23NO2/c1-7(2)5-10(13)11-6-9(8(3)4)12(14)15-11/h7-11H,5-6,13H2,1-4H3
InChIKeyYMKSQLGHMZXGCC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.95
Rot. Bonds4

About 5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one

5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one (PubChem CID 20726917) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one
PubChem CID20726917
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one
SMILESCC(C)CC(N)C1CC(C(C)C)C(=O)O1
InChIInChI=1S/C12H23NO2/c1-7(2)5-10(13)11-6-9(8(3)4)12(14)15-11/h7-11H,5-6,13H2,1-4H3
InChIKeyYMKSQLGHMZXGCC-UHFFFAOYSA-N
XLogP1.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 6-(aminomethyl)-5-oxaspiro(3.4)octane-2-carboxylate
CID 132327620
5-Amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid
CID 49867250
(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
CID 137348029
(3S,5S)-5-[(1S,3S)-1-azido-3-(fluoromethyl)-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 42613993
5(S)-azido-6-cyclohexyl-2(S)-isopropyl-4(S)-hexanolide
CID 14261123
5-(1-Amino-2-cyclohexylethyl)-3-propan-2-yloxolan-2-one
CID 14409475
(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one
CID 14409476
(3S,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one
CID 14409477
(3S,5S)-5-[(1S)-1-azido-2-cycloheptylethyl]-3-propan-2-yloxolan-2-one
CID 18637734
(3S,5S)-5-[(1S)-1-azido-2-cyclopentylethyl]-3-propan-2-yloxolan-2-one
CID 18637737
(3S,5S)-5-[(1S)-1-azido-3-cyclohexylpropyl]-3-propan-2-yloxolan-2-one
CID 18637739
(3R,5R)-5-[(1R)-1-azido-3-methylbutyl]-3-propan-2-yloxolan-2-one
CID 18637745

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one?
The IUPAC name of 5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one (CID 20726917) is 5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one.
What is the SMILES notation for 5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one?
The canonical SMILES for 5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one is CC(C)CC(N)C1CC(C(C)C)C(=O)O1.
What is the InChIKey of 5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one?
The InChIKey is YMKSQLGHMZXGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7(2)5-10(13)11-6-9(8(3)4)12(14)15-11/h7-11H,5-6,13H2,1-4H3.
What are the key properties of 5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one?
5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methylbutyl)-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 20726917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).