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

C16H30N2O6 — CID 10497775

IUPAC(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-1,3-dioxolane-4,5-dicarboxamide
SMILESCC1O[C@@H](C(=O)N[C@H](CO)C(C)C)[C@H](C(=O)N[C@H](CO)C(C)C)O1
InChIInChI=1S/C16H30N2O6/c1-8(2)11(6-19)17-15(21)13-14(24-10(5)23-13)16(22)18-12(7-20)9(3)4/h8-14,19-20H,6-7H2,1-5H3,(H,17,21)(H,18,22)/t11-,12-,13-,14-/m1/s1
InChIKeyNLLJEWOWBUKHBR-AAVRWANBSA-N
MW346.42 g/mol
LogP-0.62
Rot. Bonds8

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

(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 10497775) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-1,3-dioxolane-4,5-dicarboxamide
PubChem CID10497775
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-1,3-dioxolane-4,5-dicarboxamide
SMILESCC1O[C@@H](C(=O)N[C@H](CO)C(C)C)[C@H](C(=O)N[C@H](CO)C(C)C)O1
InChIInChI=1S/C16H30N2O6/c1-8(2)11(6-19)17-15(21)13-14(24-10(5)23-13)16(22)18-12(7-20)9(3)4/h8-14,19-20H,6-7H2,1-5H3,(H,17,21)(H,18,22)/t11-,12-,13-,14-/m1/s1
InChIKeyNLLJEWOWBUKHBR-AAVRWANBSA-N
XLogP-0.62
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 5-0.62
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]-2-methyl-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-1,3-dioxolane-4,5-dicarboxamide (CID 10497775) is (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-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]-2-methyl-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-1,3-dioxolane-4,5-dicarboxamide is CC1O[C@@H](C(=O)N[C@H](CO)C(C)C)[C@H](C(=O)N[C@H](CO)C(C)C)O1.
What is the InChIKey of (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is NLLJEWOWBUKHBR-AAVRWANBSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-8(2)11(6-19)17-15(21)13-14(24-10(5)23-13)16(22)18-12(7-20)9(3)4/h8-14,19-20H,6-7H2,1-5H3,(H,17,21)(H,18,22)/t11-,12-,13-,14-/m1/s1.
What are the key properties of (4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-1,3-dioxolane-4,5-dicarboxamide?
(4R,5R)-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 346.42 g/mol, XLogP of -0.62, 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]-2-methyl-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 10497775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).