N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide

C11H22N2O5 — CID 167408626

IUPACN-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNC[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22N2O5/c1-7(15)13-3-2-12-4-8-6-18-9(5-14)11(17)10(8)16/h8-12,14,16-17H,2-6H2,1H3,(H,13,15)/t8-,9-,10-,11+/m1/s1
InChIKeyUKCHLNDOOKGRGZ-DBIOUOCHSA-N
MW262.31 g/mol
LogP-2.56
Rot. Bonds6

About N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide

N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide (PubChem CID 167408626) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide
PubChem CID167408626
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC NameN-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNC[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22N2O5/c1-7(15)13-3-2-12-4-8-6-18-9(5-14)11(17)10(8)16/h8-12,14,16-17H,2-6H2,1H3,(H,13,15)/t8-,9-,10-,11+/m1/s1
InChIKeyUKCHLNDOOKGRGZ-DBIOUOCHSA-N
XLogP-2.56
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide (CID 167408626) is N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide is CC(=O)NCCNC[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide?
The InChIKey is UKCHLNDOOKGRGZ-DBIOUOCHSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-7(15)13-3-2-12-4-8-6-18-9(5-14)11(17)10(8)16/h8-12,14,16-17H,2-6H2,1H3,(H,13,15)/t8-,9-,10-,11+/m1/s1.
What are the key properties of N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide?
N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide has a molecular weight of 262.31 g/mol, XLogP of -2.56, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]ethyl]acetamide is sourced from PubChem (CID 167408626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).