(2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide

C14H25NO4 — CID 23729632

IUPAC(2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide
SMILESC[C@H]([C@@H]1OC(C)(C)OC[C@H]1C)[C@@H]1O[C@H]1C(=O)N(C)C
InChIInChI=1S/C14H25NO4/c1-8-7-17-14(3,4)19-10(8)9(2)11-12(18-11)13(16)15(5)6/h8-12H,7H2,1-6H3/t8-,9-,10-,11+,12-/m1/s1
InChIKeyGCKSSBUUWIYYSA-PZWNZHSQSA-N
MW271.36 g/mol
LogP1.27
Rot. Bonds3

About (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide

(2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide (PubChem CID 23729632) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide
PubChem CID23729632
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide
SMILESC[C@H]([C@@H]1OC(C)(C)OC[C@H]1C)[C@@H]1O[C@H]1C(=O)N(C)C
InChIInChI=1S/C14H25NO4/c1-8-7-17-14(3,4)19-10(8)9(2)11-12(18-11)13(16)15(5)6/h8-12H,7H2,1-6H3/t8-,9-,10-,11+,12-/m1/s1
InChIKeyGCKSSBUUWIYYSA-PZWNZHSQSA-N
XLogP1.27
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide
CID 25140404
(4S)-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-one
CID 13414271
[(2R)-2-[(4R,5S,6S)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propyl] acetate
CID 10620195
methyl (Z,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoate
CID 100978294
[(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol
CID 56946557
(5R)-2,2,5-trimethyl-4-[(2S)-4-(oxiran-2-yl)butan-2-yl]-1,3-dioxane
CID 134878956
(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane
CID 100965726
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863684
(2,6-dimethylphenyl) (2R,3R,4R)-3-hydroxy-2-methyl-4-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanoate
CID 14313262
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutan-1-one
CID 130410565
(E)-3-(dimethylamino)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-one
CID 59177998

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide (CID 23729632) is (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide is C[C@H]([C@@H]1OC(C)(C)OC[C@H]1C)[C@@H]1O[C@H]1C(=O)N(C)C.
What is the InChIKey of (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide?
The InChIKey is GCKSSBUUWIYYSA-PZWNZHSQSA-N. The full InChI is InChI=1S/C14H25NO4/c1-8-7-17-14(3,4)19-10(8)9(2)11-12(18-11)13(16)15(5)6/h8-12H,7H2,1-6H3/t8-,9-,10-,11+,12-/m1/s1.
What are the key properties of (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide?
(2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide is sourced from PubChem (CID 23729632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).