2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C10H20N2O6 — CID 162453639

IUPAC2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCNCC(=O)NC1[C@H](O)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H20N2O6/c1-2-11-3-6(14)12-7-9(16)8(15)5(4-13)18-10(7)17/h5,7-11,13,15-17H,2-4H2,1H3,(H,12,14)/t5?,7?,8-,9-,10-/m1/s1
InChIKeyYCNUZDICBUSPAR-OPTAXSKLSA-N
MW264.28 g/mol
LogP-3.49
Rot. Bonds5

About 2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 162453639) has the molecular formula C10H20N2O6 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID162453639
Molecular FormulaC10H20N2O6
Molecular Weight264.28 g/mol
Exact Mass264.13
IUPAC Name2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCNCC(=O)NC1[C@H](O)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H20N2O6/c1-2-11-3-6(14)12-7-9(16)8(15)5(4-13)18-10(7)17/h5,7-11,13,15-17H,2-4H2,1H3,(H,12,14)/t5?,7?,8-,9-,10-/m1/s1
InChIKeyYCNUZDICBUSPAR-OPTAXSKLSA-N
XLogP-3.49
TPSA131.28 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.28
LogP ≤ 5-3.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide;hydrochloride
CID 132775552
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887
2-sulfanyl-N-[(2S,3R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 123446694
2-fluoro-N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 102170219
2-sulfanyl-N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138986916
2-fluoro-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 12896786
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 159537443
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 162453639) is 2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CCNCC(=O)NC1[C@H](O)OC(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of 2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is YCNUZDICBUSPAR-OPTAXSKLSA-N. The full InChI is InChI=1S/C10H20N2O6/c1-2-11-3-6(14)12-7-9(16)8(15)5(4-13)18-10(7)17/h5,7-11,13,15-17H,2-4H2,1H3,(H,12,14)/t5?,7?,8-,9-,10-/m1/s1.
What are the key properties of 2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 264.28 g/mol, XLogP of -3.49, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 162453639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).