N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride

C8H17ClN2O4 — CID 57384041

IUPACN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O.Cl
InChIInChI=1S/C8H16N2O4.ClH/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13;/h5-9,11,13-14H,2-3H2,1H3,(H,10,12);1H/t5-,6+,7+,8+;/m0./s1
InChIKeyPXYTXXMWBPXVRV-ANJNCBFHSA-N
MW240.69 g/mol
LogP-2.40
Rot. Bonds2

About N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride

N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride (PubChem CID 57384041) has the molecular formula C8H17ClN2O4 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride
PubChem CID57384041
Molecular FormulaC8H17ClN2O4
Molecular Weight240.69 g/mol
Exact Mass240.09
IUPAC NameN-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O.Cl
InChIInChI=1S/C8H16N2O4.ClH/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13;/h5-9,11,13-14H,2-3H2,1H3,(H,10,12);1H/t5-,6+,7+,8+;/m0./s1
InChIKeyPXYTXXMWBPXVRV-ANJNCBFHSA-N
XLogP-2.40
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride with MolForge

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Related Compounds

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N-(((2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methylpiperidin-2-yl)methyl)acetamide
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1-N-acetyl-2-acetamido-beta-glucopyranosylamine
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N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 452004
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride (CID 57384041) is N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride is CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O.Cl.
What is the InChIKey of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride?
The InChIKey is PXYTXXMWBPXVRV-ANJNCBFHSA-N. The full InChI is InChI=1S/C8H16N2O4.ClH/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13;/h5-9,11,13-14H,2-3H2,1H3,(H,10,12);1H/t5-,6+,7+,8+;/m0./s1.
What are the key properties of N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride?
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride has a molecular weight of 240.69 g/mol, XLogP of -2.40, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 57384041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).