2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol

C15H24N2O6 — CID 153389306

IUPAC2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol
SMILESCO.NC(=O)C(N)c1ccc(OC2C[C@@H](O)CC(CO)O2)cc1
InChIInChI=1S/C14H20N2O5.CH4O/c15-13(14(16)19)8-1-3-10(4-2-8)20-12-6-9(18)5-11(7-17)21-12;1-2/h1-4,9,11-13,17-18H,5-7,15H2,(H2,16,19);2H,1H3/t9-,11?,12?,13?;/m0./s1
InChIKeyAQJNJQMVLAGZRN-BHRRJIGQSA-N
MW328.37 g/mol
LogP-0.98
Rot. Bonds5

About 2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol

2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol (PubChem CID 153389306) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol.

Molecular Properties

Compound Name2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol
PubChem CID153389306
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Name2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol
SMILESCO.NC(=O)C(N)c1ccc(OC2C[C@@H](O)CC(CO)O2)cc1
InChIInChI=1S/C14H20N2O5.CH4O/c15-13(14(16)19)8-1-3-10(4-2-8)20-12-6-9(18)5-11(7-17)21-12;1-2/h1-4,9,11-13,17-18H,5-7,15H2,(H2,16,19);2H,1H3/t9-,11?,12?,13?;/m0./s1
InChIKeyAQJNJQMVLAGZRN-BHRRJIGQSA-N
XLogP-0.98
TPSA148.26 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-amino-3-[4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
CID 44421844
3-(beta-D-Glucopyranosyloxy)-L-tyrosine
CID 11581260
L-DOPA 3'-glucoside
CID 72983473
(2R)-2-amino-3-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
CID 44421836
(2S)-2-amino-3-[4-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
CID 44421842
(2R)-2-amino-3-[4-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
CID 44421843
(2R)-2-amino-3-[4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
CID 44421849
4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
CID 46837794
(2R,3S,4S,5S,6R)-2-[4-(aminomethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90672925
2-(4-methoxyphenyl)-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 134130073
(4-Hydroxymaltosephenyl)Glycine
CID 17754164
Marumoside A
CID 101794623

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol?
The IUPAC name of 2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol (CID 153389306) is 2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol.
What is the SMILES notation for 2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol?
The canonical SMILES for 2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol is CO.NC(=O)C(N)c1ccc(OC2C[C@@H](O)CC(CO)O2)cc1.
What is the InChIKey of 2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol?
The InChIKey is AQJNJQMVLAGZRN-BHRRJIGQSA-N. The full InChI is InChI=1S/C14H20N2O5.CH4O/c15-13(14(16)19)8-1-3-10(4-2-8)20-12-6-9(18)5-11(7-17)21-12;1-2/h1-4,9,11-13,17-18H,5-7,15H2,(H2,16,19);2H,1H3/t9-,11?,12?,13?;/m0./s1.
What are the key properties of 2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol?
2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol has a molecular weight of 328.37 g/mol, XLogP of -0.98, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide;methanol is sourced from PubChem (CID 153389306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).