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

C15H28N2O6 — CID 10640326

IUPAC(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide
SMILESCC(C)[C@@H](CO)NC(=O)[C@@H]1OCO[C@H]1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C15H28N2O6/c1-8(2)10(5-18)16-14(20)12-13(23-7-22-12)15(21)17-11(6-19)9(3)4/h8-13,18-19H,5-7H2,1-4H3,(H,16,20)(H,17,21)/t10-,11-,12-,13-/m1/s1
InChIKeyYSFJMRSYINERKY-FDYHWXHSSA-N
MW332.40 g/mol
LogP-1.01
Rot. Bonds8

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

(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 10640326) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide
PubChem CID10640326
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Name(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide
SMILESCC(C)[C@@H](CO)NC(=O)[C@@H]1OCO[C@H]1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C15H28N2O6/c1-8(2)10(5-18)16-14(20)12-13(23-7-22-12)15(21)17-11(6-19)9(3)4/h8-13,18-19H,5-7H2,1-4H3,(H,16,20)(H,17,21)/t10-,11-,12-,13-/m1/s1
InChIKeyYSFJMRSYINERKY-FDYHWXHSSA-N
XLogP-1.01
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-1.01
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-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide (CID 10640326) is (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide is CC(C)[C@@H](CO)NC(=O)[C@@H]1OCO[C@H]1C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is YSFJMRSYINERKY-FDYHWXHSSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-8(2)10(5-18)16-14(20)12-13(23-7-22-12)15(21)17-11(6-19)9(3)4/h8-13,18-19H,5-7H2,1-4H3,(H,16,20)(H,17,21)/t10-,11-,12-,13-/m1/s1.
What are the key properties of (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide?
(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 332.40 g/mol, XLogP of -1.01, 8 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-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 10640326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).