5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide

C16H30N2O7 — CID 20683796

IUPAC5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
SMILESCC(=O)NC1C(O)CC(C)(C(=O)NCC(C)C)OC1C(O)C(O)CO
InChIInChI=1S/C16H30N2O7/c1-8(2)6-17-15(24)16(4)5-10(21)12(18-9(3)20)14(25-16)13(23)11(22)7-19/h8,10-14,19,21-23H,5-7H2,1-4H3,(H,17,24)(H,18,20)
InChIKeyJMOSMCGATYVUDR-UHFFFAOYSA-N
MW362.42 g/mol
LogP-2.11
Rot. Bonds7

About 5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide

5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide (PubChem CID 20683796) has the molecular formula C16H30N2O7 and a molecular weight of 362.42 g/mol. Its IUPAC name is 5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
PubChem CID20683796
Molecular FormulaC16H30N2O7
Molecular Weight362.42 g/mol
Exact Mass362.21
IUPAC Name5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
SMILESCC(=O)NC1C(O)CC(C)(C(=O)NCC(C)C)OC1C(O)C(O)CO
InChIInChI=1S/C16H30N2O7/c1-8(2)6-17-15(24)16(4)5-10(21)12(18-9(3)20)14(25-16)13(23)11(22)7-19/h8,10-14,19,21-23H,5-7H2,1-4H3,(H,17,24)(H,18,20)
InChIKeyJMOSMCGATYVUDR-UHFFFAOYSA-N
XLogP-2.11
TPSA148.35 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 5-2.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

N-acetyl-beta-neuraminic acid
CID 445063
N-Acetyl-Neuraminic Acid
CID 439197
N-Acetyl-alpha-D-neuraminic acid
CID 444885
3,5-Dideoxy-5-((1-hydroxyethylidene)amino)non-2-ulopyranosonic acid
CID 906
N-acetyl-beta-neuraminate
CID 7173827
UX-001
CID 656387
GlyTouCan:G14776AB
CID 5702294
N-acetyl-alpha-neuraminate
CID 11876106
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 448418
GlyTouCan:G29595PR
CID 134689626
GlyTouCan:G98911ON
CID 163606
GlyTouCan:G88594RC
CID 68260278

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
The IUPAC name of 5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide (CID 20683796) is 5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide.
What is the SMILES notation for 5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
The canonical SMILES for 5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide is CC(=O)NC1C(O)CC(C)(C(=O)NCC(C)C)OC1C(O)C(O)CO.
What is the InChIKey of 5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
The InChIKey is JMOSMCGATYVUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O7/c1-8(2)6-17-15(24)16(4)5-10(21)12(18-9(3)20)14(25-16)13(23)11(22)7-19/h8,10-14,19,21-23H,5-7H2,1-4H3,(H,17,24)(H,18,20).
What are the key properties of 5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide has a molecular weight of 362.42 g/mol, XLogP of -2.11, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide is sourced from PubChem (CID 20683796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).