(5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one

C9H17NO2 — CID 130877549

IUPAC(5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one
SMILESCC(C)C[C@H](N)[C@H]1CCC(=O)O1
InChIInChI=1S/C9H17NO2/c1-6(2)5-7(10)8-3-4-9(11)12-8/h6-8H,3-5,10H2,1-2H3/t7-,8+/m0/s1
InChIKeyKVSZDWSYWPPYTH-JGVFFNPUSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds3

About (5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one

(5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one (PubChem CID 130877549) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one
PubChem CID130877549
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one
SMILESCC(C)C[C@H](N)[C@H]1CCC(=O)O1
InChIInChI=1S/C9H17NO2/c1-6(2)5-7(10)8-3-4-9(11)12-8/h6-8H,3-5,10H2,1-2H3/t7-,8+/m0/s1
InChIKeyKVSZDWSYWPPYTH-JGVFFNPUSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-iodoethyl)oxolan-2-one
CID 101198694
(5S)-5-[(1S)-1-bromopropyl]oxolan-2-one
CID 134965228
(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
CID 135037990
4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one
CID 155596266
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
benzyl 2-(5-oxooxolan-2-yl)propanoate
CID 167309507
5-(3-hydroxy-1-methoxypropyl)oxolan-2-one
CID 69292086
(5S)-5-(3-methylbutanoyl)oxolan-2-one
CID 157301078
(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one
CID 45113846
(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
6-(2,4-dihydroxypentyl)oxan-2-one
CID 162814553

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one (CID 130877549) is (5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one is CC(C)C[C@H](N)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one?
The InChIKey is KVSZDWSYWPPYTH-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)5-7(10)8-3-4-9(11)12-8/h6-8H,3-5,10H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one?
(5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one is sourced from PubChem (CID 130877549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).