(4S,5S)-4-amino-5-methyloxolan-2-one

C5H9NO2 — CID 102354103

IUPAC(4S,5S)-4-amino-5-methyloxolan-2-one
SMILESC[C@@H]1OC(=O)C[C@@H]1N
InChIInChI=1S/C5H9NO2/c1-3-4(6)2-5(7)8-3/h3-4H,2,6H2,1H3/t3-,4-/m0/s1
InChIKeyDLVYLQZKRIPAMS-IMJSIDKUSA-N
MW115.13 g/mol
LogP-0.35
Rot. Bonds

About (4S,5S)-4-amino-5-methyloxolan-2-one

(4S,5S)-4-amino-5-methyloxolan-2-one (PubChem CID 102354103) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (4S,5S)-4-amino-5-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-amino-5-methyloxolan-2-one
PubChem CID102354103
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(4S,5S)-4-amino-5-methyloxolan-2-one
SMILESC[C@@H]1OC(=O)C[C@@H]1N
InChIInChI=1S/C5H9NO2/c1-3-4(6)2-5(7)8-3/h3-4H,2,6H2,1H3/t3-,4-/m0/s1
InChIKeyDLVYLQZKRIPAMS-IMJSIDKUSA-N
XLogP-0.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid
CID 10130181
5-methyl-4-(silylmethyl)oxolan-2-one
CID 174039472
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
5-bromo-4,6-dimethyloxan-2-one
CID 130020674
5-methyl-4-prop-2-enyloxolan-2-one
CID 14489431
4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
CID 20652083
(4S,5R)-4-amino-5-propoxyoxolan-2-one
CID 70334227
(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626
ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
CID 101339914
(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
CID 67643297
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399
(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one
CID 70259290

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-amino-5-methyloxolan-2-one?
The IUPAC name of (4S,5S)-4-amino-5-methyloxolan-2-one (CID 102354103) is (4S,5S)-4-amino-5-methyloxolan-2-one.
What is the SMILES notation for (4S,5S)-4-amino-5-methyloxolan-2-one?
The canonical SMILES for (4S,5S)-4-amino-5-methyloxolan-2-one is C[C@@H]1OC(=O)C[C@@H]1N.
What is the InChIKey of (4S,5S)-4-amino-5-methyloxolan-2-one?
The InChIKey is DLVYLQZKRIPAMS-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4(6)2-5(7)8-3/h3-4H,2,6H2,1H3/t3-,4-/m0/s1.
What are the key properties of (4S,5S)-4-amino-5-methyloxolan-2-one?
(4S,5S)-4-amino-5-methyloxolan-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-amino-5-methyloxolan-2-one is sourced from PubChem (CID 102354103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).