(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one

C9H17NO3 — CID 66645583

IUPAC(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one
SMILESCC(C)[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O
InChIInChI=1S/C9H17NO3/c1-5(2)6-3-8(7(10)4-11)13-9(6)12/h5-8,11H,3-4,10H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyJOOYPQAIVDJQLT-FXQIFTODSA-N
MW187.24 g/mol
LogP-0.11
Rot. Bonds3

About (3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one

(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one (PubChem CID 66645583) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one
PubChem CID66645583
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one
SMILESCC(C)[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O
InChIInChI=1S/C9H17NO3/c1-5(2)6-3-8(7(10)4-11)13-9(6)12/h5-8,11H,3-4,10H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyJOOYPQAIVDJQLT-FXQIFTODSA-N
XLogP-0.11
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-di(propan-2-yl)oxolan-2-one
CID 58239098
(2S,4S)-4-amino-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutanoyl chloride;hydrochloride
CID 89183833
2-methylpropoxycarbonyl (2S,4R)-4-amino-4-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-2-propan-2-ylbutanoate
CID 59546447
(3S)-5-(1-amino-2-phenylmethoxyethyl)-3-propan-2-yloxolan-2-one
CID 145469363
(3S,5S)-5-[(1S,3S)-1-azido-3-(hydroxymethyl)-4-methylpentyl]-3-propan-2-yloxolan-2-one
CID 22874084
(3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one
CID 14411946
5-(5-oxo-4-propan-2-yloxolan-2-yl)-3-propan-2-yloxolan-2-one
CID 75984396
5-methyl-3-propan-2-yloxolan-2-one
CID 29717
(3S,5S)-5-[(1S)-1-azido-3-methylbutyl]-3-propan-2-yloxolan-2-one
CID 10399353
[(1R)-3-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]butyl] methanesulfonate
CID 10402092
(3S,5S)-5-[(1R)-1-bromo-2-cycloheptylethyl]-3-propan-2-yloxolan-2-one
CID 18637728
5-oxo-4-propan-2-yloxolane-2-carbonyl chloride
CID 72800701

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one?
The IUPAC name of (3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one (CID 66645583) is (3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one.
What is the SMILES notation for (3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one?
The canonical SMILES for (3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one is CC(C)[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.
What is the InChIKey of (3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one?
The InChIKey is JOOYPQAIVDJQLT-FXQIFTODSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5(2)6-3-8(7(10)4-11)13-9(6)12/h5-8,11H,3-4,10H2,1-2H3/t6-,7-,8-/m0/s1.
What are the key properties of (3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one?
(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one has a molecular weight of 187.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 66645583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).