(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one

C10H18N2O3 — CID 59735311

IUPAC(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C(=O)CN1C[C@@H](CN)OC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)8(13)6-12-5-7(4-11)15-9(12)14/h7H,4-6,11H2,1-3H3/t7-/m1/s1
InChIKeyMDRMZLJBAUOCOS-SSDOTTSWSA-N
MW214.26 g/mol
LogP0.38
Rot. Bonds3

About (5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one

(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one (PubChem CID 59735311) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one
PubChem CID59735311
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C(=O)CN1C[C@@H](CN)OC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)8(13)6-12-5-7(4-11)15-9(12)14/h7H,4-6,11H2,1-3H3/t7-/m1/s1
InChIKeyMDRMZLJBAUOCOS-SSDOTTSWSA-N
XLogP0.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one (CID 59735311) is (5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one is CC(C)(C)C(=O)CN1C[C@@H](CN)OC1=O.
What is the InChIKey of (5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one?
The InChIKey is MDRMZLJBAUOCOS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)8(13)6-12-5-7(4-11)15-9(12)14/h7H,4-6,11H2,1-3H3/t7-/m1/s1.
What are the key properties of (5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one?
(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one has a molecular weight of 214.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59735311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).