(3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one

C7H13NO2 — CID 163800814

IUPAC(3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one
SMILESC[C@@H]1OC(=O)[C@@](C)(N)[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-4-5(2)10-6(9)7(4,3)8/h4-5H,8H2,1-3H3/t4-,5+,7+/m1/s1
InChIKeyNEUFVSLMMLBWBK-ZDLURKLDSA-N
MW143.19 g/mol
LogP0.29
Rot. Bonds

About (3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one

(3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one (PubChem CID 163800814) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one
PubChem CID163800814
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one
SMILESC[C@@H]1OC(=O)[C@@](C)(N)[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-4-5(2)10-6(9)7(4,3)8/h4-5H,8H2,1-3H3/t4-,5+,7+/m1/s1
InChIKeyNEUFVSLMMLBWBK-ZDLURKLDSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one?
The IUPAC name of (3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one (CID 163800814) is (3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one.
What is the SMILES notation for (3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one?
The canonical SMILES for (3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one is C[C@@H]1OC(=O)[C@@](C)(N)[C@@H]1C.
What is the InChIKey of (3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one?
The InChIKey is NEUFVSLMMLBWBK-ZDLURKLDSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5(2)10-6(9)7(4,3)8/h4-5H,8H2,1-3H3/t4-,5+,7+/m1/s1.
What are the key properties of (3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one?
(3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-3-amino-3,4,5-trimethyloxolan-2-one is sourced from PubChem (CID 163800814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).