(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide

C13H24N2O6 — CID 45101165

IUPAC(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
SMILESC[C@@H](CO)NC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)N[C@@H](C)CO
InChIInChI=1S/C13H24N2O6/c1-7(5-16)14-11(18)9-10(21-13(3,4)20-9)12(19)15-8(2)6-17/h7-10,16-17H,5-6H2,1-4H3,(H,14,18)(H,15,19)/t7-,8-,9+,10+/m0/s1
InChIKeyVHTVKHSZAGMIDK-AXTSPUMRSA-N
MW304.34 g/mol
LogP-1.50
Rot. Bonds6

About (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide

(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 45101165) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
PubChem CID45101165
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
SMILESC[C@@H](CO)NC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)N[C@@H](C)CO
InChIInChI=1S/C13H24N2O6/c1-7(5-16)14-11(18)9-10(21-13(3,4)20-9)12(19)15-8(2)6-17/h7-10,16-17H,5-6H2,1-4H3,(H,14,18)(H,15,19)/t7-,8-,9+,10+/m0/s1
InChIKeyVHTVKHSZAGMIDK-AXTSPUMRSA-N
XLogP-1.50
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide (CID 45101165) is (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide is C[C@@H](CO)NC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)N[C@@H](C)CO.
What is the InChIKey of (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is VHTVKHSZAGMIDK-AXTSPUMRSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-7(5-16)14-11(18)9-10(21-13(3,4)20-9)12(19)15-8(2)6-17/h7-10,16-17H,5-6H2,1-4H3,(H,14,18)(H,15,19)/t7-,8-,9+,10+/m0/s1.
What are the key properties of (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 304.34 g/mol, XLogP of -1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 45101165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).