3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one

C11H16N2O5 — CID 11821202

IUPAC3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@@H]2N[C@H]2C(=O)N2CCOC2=O)O1
InChIInChI=1S/C11H16N2O5/c1-11(2)17-5-6(18-11)7-8(12-7)9(14)13-3-4-16-10(13)15/h6-8,12H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyWEADFBFQOSOENY-GJMOJQLCSA-N
MW256.26 g/mol
LogP-0.54
Rot. Bonds2

About 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one

3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 11821202) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one
PubChem CID11821202
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@@H]2N[C@H]2C(=O)N2CCOC2=O)O1
InChIInChI=1S/C11H16N2O5/c1-11(2)17-5-6(18-11)7-8(12-7)9(14)13-3-4-16-10(13)15/h6-8,12H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyWEADFBFQOSOENY-GJMOJQLCSA-N
XLogP-0.54
TPSA87.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyoxolan-2-one
CID 71204937
3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one
CID 14862236
cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate
CID 134922721
7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 537482
(4aR,7R,7aR)-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 53362287
(3'aR,5S)-3-acetyl-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 58766090
benzyl-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamic acid
CID 56986144
3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one
CID 11013955
methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate
CID 102148802
(3aR,4R,7R,7aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 14466796
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one
CID 54676508

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one (CID 11821202) is 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one is CC1(C)OC[C@H]([C@@H]2N[C@H]2C(=O)N2CCOC2=O)O1.
What is the InChIKey of 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is WEADFBFQOSOENY-GJMOJQLCSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-11(2)17-5-6(18-11)7-8(12-7)9(14)13-3-4-16-10(13)15/h6-8,12H,3-5H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one?
3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 256.26 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11821202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).