3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one

C9H18N2O2 — CID 63762139

IUPAC3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)CC(CN)N1CCOC1=O
InChIInChI=1S/C9H18N2O2/c1-7(2)5-8(6-10)11-3-4-13-9(11)12/h7-8H,3-6,10H2,1-2H3
InChIKeyRPQZIOGMVDTTRS-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.81
Rot. Bonds4

About 3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one

3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 63762139) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one
PubChem CID63762139
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)CC(CN)N1CCOC1=O
InChIInChI=1S/C9H18N2O2/c1-7(2)5-8(6-10)11-3-4-13-9(11)12/h7-8H,3-6,10H2,1-2H3
InChIKeyRPQZIOGMVDTTRS-UHFFFAOYSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one (CID 63762139) is 3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one is CC(C)CC(CN)N1CCOC1=O.
What is the InChIKey of 3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is RPQZIOGMVDTTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)5-8(6-10)11-3-4-13-9(11)12/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one?
3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 63762139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).