N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide

C8H16N2O4 — CID 91851645

IUPACN-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@H](N)[C@H](C)O[C@H]1O
InChIInChI=1S/C8H16N2O4/c1-3-5(9)7(12)6(8(13)14-3)10-4(2)11/h3,5-8,12-13H,9H2,1-2H3,(H,10,11)/t3-,5+,6-,7+,8+/m0/s1
InChIKeyISOLGZVBSWHFJY-RMQBOJNYSA-N
MW204.23 g/mol
LogP-2.08
Rot. Bonds1

About N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide

N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide (PubChem CID 91851645) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
PubChem CID91851645
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC NameN-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@H](N)[C@H](C)O[C@H]1O
InChIInChI=1S/C8H16N2O4/c1-3-5(9)7(12)6(8(13)14-3)10-4(2)11/h3,5-8,12-13H,9H2,1-2H3,(H,10,11)/t3-,5+,6-,7+,8+/m0/s1
InChIKeyISOLGZVBSWHFJY-RMQBOJNYSA-N
XLogP-2.08
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide with MolForge

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Related Compounds

N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
CID 156616201
N-[(2S,3R,4S,5R,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
CID 56927717
N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 139572683
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(2S,3R,5R)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]acetamide
CID 59828190
(2R,3R,4R,5R,6R)-3-[(2S,3R,4S,5R,6R)-3-acetamido-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-5-amino-4,6-dihydroxyoxane-2-carboxylic acid
CID 91859486
CID 59985924
CID 59985924
N-[(2R,3R,4R,5S,6R)-4-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 154572806
N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
CID 154702648
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
(2S,3S,4R,5S,6R)-5-acetamido-3,4,6-trihydroxyoxane-2-carboxylate
CID 154586187

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide (CID 91851645) is N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](O)[C@H](N)[C@H](C)O[C@H]1O.
What is the InChIKey of N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide?
The InChIKey is ISOLGZVBSWHFJY-RMQBOJNYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-3-5(9)7(12)6(8(13)14-3)10-4(2)11/h3,5-8,12-13H,9H2,1-2H3,(H,10,11)/t3-,5+,6-,7+,8+/m0/s1.
What are the key properties of N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide?
N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide has a molecular weight of 204.23 g/mol, XLogP of -2.08, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide is sourced from PubChem (CID 91851645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).