3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one

C8H16N2O2 — CID 58799583

IUPAC3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](N)CN1CCOC1=O
InChIInChI=1S/C8H16N2O2/c1-6(2)7(9)5-10-3-4-12-8(10)11/h6-7H,3-5,9H2,1-2H3/t7-/m1/s1
InChIKeyCRXBNFFEUIZMBU-SSDOTTSWSA-N
MW172.23 g/mol
LogP0.42
Rot. Bonds3

About 3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one

3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one (PubChem CID 58799583) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one
PubChem CID58799583
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](N)CN1CCOC1=O
InChIInChI=1S/C8H16N2O2/c1-6(2)7(9)5-10-3-4-12-8(10)11/h6-7H,3-5,9H2,1-2H3/t7-/m1/s1
InChIKeyCRXBNFFEUIZMBU-SSDOTTSWSA-N
XLogP0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one (CID 58799583) is 3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one is CC(C)[C@H](N)CN1CCOC1=O.
What is the InChIKey of 3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one?
The InChIKey is CRXBNFFEUIZMBU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)7(9)5-10-3-4-12-8(10)11/h6-7H,3-5,9H2,1-2H3/t7-/m1/s1.
What are the key properties of 3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one?
3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one has a molecular weight of 172.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-3-methylbutyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58799583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).