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

C10H20N2O6 — CID 140848374

IUPACN-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@]1(O)CCN
InChIInChI=1S/C10H20N2O6/c1-5(14)12-9-8(16)7(15)6(4-13)18-10(9,17)2-3-11/h6-9,13,15-17H,2-4,11H2,1H3,(H,12,14)/t6-,7-,8+,9-,10-/m1/s1
InChIKeyFWMBMFGASHWFHC-HOTMZDKISA-N
MW264.28 g/mol
LogP-3.36
Rot. Bonds4

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

N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 140848374) has the molecular formula C10H20N2O6 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID140848374
Molecular FormulaC10H20N2O6
Molecular Weight264.28 g/mol
Exact Mass264.13
IUPAC NameN-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@]1(O)CCN
InChIInChI=1S/C10H20N2O6/c1-5(14)12-9-8(16)7(15)6(4-13)18-10(9,17)2-3-11/h6-9,13,15-17H,2-4,11H2,1H3,(H,12,14)/t6-,7-,8+,9-,10-/m1/s1
InChIKeyFWMBMFGASHWFHC-HOTMZDKISA-N
XLogP-3.36
TPSA145.27 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.28
LogP ≤ 5-3.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 140570707
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-pentyloxan-3-yl]acetamide
CID 150363808
N-[(3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 164687722
N-[(1R,3R,4R,5R,9R,10R,11S,12R)-9-acetamido-3,5,10,11-tetrahydroxy-1,12-bis(hydroxymethyl)-2,7,13,14-tetraoxadispiro[5.1.58.16]tetradecan-4-yl]acetamide
CID 171123127
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
1-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
CID 140998666

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 140848374) is N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@]1(O)CCN.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is FWMBMFGASHWFHC-HOTMZDKISA-N. The full InChI is InChI=1S/C10H20N2O6/c1-5(14)12-9-8(16)7(15)6(4-13)18-10(9,17)2-3-11/h6-9,13,15-17H,2-4,11H2,1H3,(H,12,14)/t6-,7-,8+,9-,10-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 264.28 g/mol, XLogP of -3.36, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-2-(2-aminoethyl)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 140848374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).