(4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide

C11H12N2O4 — CID 774799

IUPAC(4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
SMILESNC(=O)[C@H]1OC(c2ccccc2)O[C@H]1C(N)=O
InChIInChI=1S/C11H12N2O4/c12-9(14)7-8(10(13)15)17-11(16-7)6-4-2-1-3-5-6/h1-5,7-8,11H,(H2,12,14)(H2,13,15)/t7-,8+,11?
InChIKeyIJNZBBWZMJFJAN-OQJHAAMPSA-N
MW236.23 g/mol
LogP-0.56
Rot. Bonds3

About (4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide

(4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 774799) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is (4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
PubChem CID774799
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name(4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
SMILESNC(=O)[C@H]1OC(c2ccccc2)O[C@H]1C(N)=O
InChIInChI=1S/C11H12N2O4/c12-9(14)7-8(10(13)15)17-11(16-7)6-4-2-1-3-5-6/h1-5,7-8,11H,(H2,12,14)(H2,13,15)/t7-,8+,11?
InChIKeyIJNZBBWZMJFJAN-OQJHAAMPSA-N
XLogP-0.56
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-phenyloxirane-2-carboxamide
CID 10931765
(2S,3S)-3-benzoyloxirane-2-carboxamide
CID 22806306
4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid
CID 166083279
8-amino-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxamide
CID 167154170
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
3-(4-phenyl-1,3-dioxetan-2-yl)propanoic acid
CID 70327887
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
potassium 3-phenyloxirane-2-carboxylic acid
CID 54603648
CID 131880928
CID 131880928
2-[(4S,4aR,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2-oxoacetic acid
CID 70564388
ethyl (4S,5R)-5-(2,6-dichlorophenyl)-2-phenyl-1,3-dioxolane-4-carboxylate
CID 118151807

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of (4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide (CID 774799) is (4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for (4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for (4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide is NC(=O)[C@H]1OC(c2ccccc2)O[C@H]1C(N)=O.
What is the InChIKey of (4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is IJNZBBWZMJFJAN-OQJHAAMPSA-N. The full InChI is InChI=1S/C11H12N2O4/c12-9(14)7-8(10(13)15)17-11(16-7)6-4-2-1-3-5-6/h1-5,7-8,11H,(H2,12,14)(H2,13,15)/t7-,8+,11?.
What are the key properties of (4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide?
(4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 236.23 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 774799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).