methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate

C10H18N2O6 — CID 71226736

IUPACmethyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate
SMILESCOC(=O)C1NC(CO)C(O)C(O)C1NC(C)=O
InChIInChI=1S/C10H18N2O6/c1-4(14)11-6-7(10(17)18-2)12-5(3-13)8(15)9(6)16/h5-9,12-13,15-16H,3H2,1-2H3,(H,11,14)
InChIKeyLRFJKBAXOFWELY-UHFFFAOYSA-N
MW262.26 g/mol
LogP-3.28
Rot. Bonds3

About methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate

methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate (PubChem CID 71226736) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate
PubChem CID71226736
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Namemethyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate
SMILESCOC(=O)C1NC(CO)C(O)C(O)C1NC(C)=O
InChIInChI=1S/C10H18N2O6/c1-4(14)11-6-7(10(17)18-2)12-5(3-13)8(15)9(6)16/h5-9,12-13,15-16H,3H2,1-2H3,(H,11,14)
InChIKeyLRFJKBAXOFWELY-UHFFFAOYSA-N
XLogP-3.28
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-3.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 22867730
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxythian-3-yl]acetamide
CID 54078355
N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 25181193
N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide
CID 90799473
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid
CID 14805115
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
(2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid
CID 71575304
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
methyl (2R,3S)-3-propylaziridine-2-carboxylate
CID 15249125
N-[(1S,2R,3S,4R,6S)-2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 101009658

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate?
The IUPAC name of methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate (CID 71226736) is methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate is COC(=O)C1NC(CO)C(O)C(O)C1NC(C)=O.
What is the InChIKey of methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate?
The InChIKey is LRFJKBAXOFWELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-4(14)11-6-7(10(17)18-2)12-5(3-13)8(15)9(6)16/h5-9,12-13,15-16H,3H2,1-2H3,(H,11,14).
What are the key properties of methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate?
methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate has a molecular weight of 262.26 g/mol, XLogP of -3.28, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate is sourced from PubChem (CID 71226736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).