(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one

C6H11NO3 — CID 20584755

IUPAC(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one
SMILESCN[C@H]1OC(C)(C)OC1=O
InChIInChI=1S/C6H11NO3/c1-6(2)9-4(7-3)5(8)10-6/h4,7H,1-3H3/t4-/m0/s1
InChIKeyOTQYDFOIGRSRLF-BYPYZUCNSA-N
MW145.16 g/mol
LogP-0.16
Rot. Bonds1

About (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one

(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one (PubChem CID 20584755) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one
PubChem CID20584755
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one
SMILESCN[C@H]1OC(C)(C)OC1=O
InChIInChI=1S/C6H11NO3/c1-6(2)9-4(7-3)5(8)10-6/h4,7H,1-3H3/t4-/m0/s1
InChIKeyOTQYDFOIGRSRLF-BYPYZUCNSA-N
XLogP-0.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-methylazanium;2,2,2-trifluoroacetate
CID 20584754
(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid
CID 173075811
Methyl 2-methyloxazolidine-2-carboxylate
CID 45086649
Methyl 1,3-oxazolidine-2-carboxylate
CID 53999762
Ethyl oxazolidine-2-carboxylate
CID 118988997

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one?
The IUPAC name of (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one (CID 20584755) is (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one is CN[C@H]1OC(C)(C)OC1=O.
What is the InChIKey of (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one?
The InChIKey is OTQYDFOIGRSRLF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2)9-4(7-3)5(8)10-6/h4,7H,1-3H3/t4-/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one?
(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one has a molecular weight of 145.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one is sourced from PubChem (CID 20584755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).