(3S)-3-amino-5-butyloxolan-2-one

C8H15NO2 — CID 23562305

IUPAC(3S)-3-amino-5-butyloxolan-2-one
SMILESCCCCC1C[C@H](N)C(=O)O1
InChIInChI=1S/C8H15NO2/c1-2-3-4-6-5-7(9)8(10)11-6/h6-7H,2-5,9H2,1H3/t6?,7-/m0/s1
InChIKeyOLYWNFJDCDKNSI-MLWJPKLSSA-N
MW157.21 g/mol
LogP0.82
Rot. Bonds3

About (3S)-3-amino-5-butyloxolan-2-one

(3S)-3-amino-5-butyloxolan-2-one (PubChem CID 23562305) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3S)-3-amino-5-butyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-5-butyloxolan-2-one
PubChem CID23562305
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3S)-3-amino-5-butyloxolan-2-one
SMILESCCCCC1C[C@H](N)C(=O)O1
InChIInChI=1S/C8H15NO2/c1-2-3-4-6-5-7(9)8(10)11-6/h6-7H,2-5,9H2,1H3/t6?,7-/m0/s1
InChIKeyOLYWNFJDCDKNSI-MLWJPKLSSA-N
XLogP0.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-3-amino-5-butyloxolan-2-one
CID 45082203
(3S,5R)-5-butyl-3-chlorooxolan-2-one
CID 92951740
(3R,5R)-5-butyl-3-phenyloxolan-2-one
CID 14968658
(3R,5S)-5-[2-(2-aminocyclohexyl)ethyl]-3-butyloxolan-2-one;hydrochloride
CID 67905932
(3R,5S)-5-butyl-3-(4-hydroxyphenyl)oxolan-2-one
CID 139603112
5-hexyl-3-hydroxyoxolan-2-one
CID 14303265
3-chloro-5-octyloxolan-2-one
CID 3017732
(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
CID 162927277
2-oxo-5-pentyloxolane-3-carboxylic acid
CID 131751115
(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one
CID 162965017
(3S,5S)-3-phenyl-5-tridecyloxolan-2-one
CID 10860874
3-hexyl-4-hydroxy-6-undecyloxan-2-one
CID 10665857

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-butyloxolan-2-one?
The IUPAC name of (3S)-3-amino-5-butyloxolan-2-one (CID 23562305) is (3S)-3-amino-5-butyloxolan-2-one.
What is the SMILES notation for (3S)-3-amino-5-butyloxolan-2-one?
The canonical SMILES for (3S)-3-amino-5-butyloxolan-2-one is CCCCC1C[C@H](N)C(=O)O1.
What is the InChIKey of (3S)-3-amino-5-butyloxolan-2-one?
The InChIKey is OLYWNFJDCDKNSI-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-6-5-7(9)8(10)11-6/h6-7H,2-5,9H2,1H3/t6?,7-/m0/s1.
What are the key properties of (3S)-3-amino-5-butyloxolan-2-one?
(3S)-3-amino-5-butyloxolan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-butyloxolan-2-one is sourced from PubChem (CID 23562305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).