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

C10H18N2O5 — CID 52940203

IUPACN-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@H](NC(C)=O)[C@@H](O)O[C@@H]1C
InChIInChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8+,9+,10+/m1/s1
InChIKeyNRXWTRNYICXMBF-UBUKNDCTSA-N
MW246.26 g/mol
LogP-1.91
Rot. Bonds2

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

N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide (PubChem CID 52940203) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
PubChem CID52940203
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC NameN-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@H](NC(C)=O)[C@@H](O)O[C@@H]1C
InChIInChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8+,9+,10+/m1/s1
InChIKeyNRXWTRNYICXMBF-UBUKNDCTSA-N
XLogP-1.91
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide (CID 52940203) is N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](O)[C@H](NC(C)=O)[C@@H](O)O[C@@H]1C.
What is the InChIKey of N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide?
The InChIKey is NRXWTRNYICXMBF-UBUKNDCTSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8+,9+,10+/m1/s1.
What are the key properties of N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide?
N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide has a molecular weight of 246.26 g/mol, XLogP of -1.91, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide is sourced from PubChem (CID 52940203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).