N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide

C10H20N2O4 — CID 141312235

IUPACN-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NC(C)N1CC[C@@H](O)[C@H](O)[C@@H]1CO
InChIInChI=1S/C10H20N2O4/c1-6(11-7(2)14)12-4-3-9(15)10(16)8(12)5-13/h6,8-10,13,15-16H,3-5H2,1-2H3,(H,11,14)/t6?,8-,9+,10+/m0/s1
InChIKeyUPKGNRZJLOOWCW-OMMUKZPPSA-N
MW232.28 g/mol
LogP-1.74
Rot. Bonds3

About N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide

N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 141312235) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
PubChem CID141312235
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NC(C)N1CC[C@@H](O)[C@H](O)[C@@H]1CO
InChIInChI=1S/C10H20N2O4/c1-6(11-7(2)14)12-4-3-9(15)10(16)8(12)5-13/h6,8-10,13,15-16H,3-5H2,1-2H3,(H,11,14)/t6?,8-,9+,10+/m0/s1
InChIKeyUPKGNRZJLOOWCW-OMMUKZPPSA-N
XLogP-1.74
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetamido-1,5-imino-1,2,5-trideoxy-D-glucitol
CID 122617
Iminocyclitol, 6
CID 22073436
Iminocyclitol, 2
CID 68720017
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 452004
N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, 2
CID 50997770
Iminocyclitol, 4
CID 72699266
(2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine
CID 446429
N-[(3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 71747145
1-cyclohexyl-3-propyl-1-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]urea
CID 71713799
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-1-ium-3-yl]acetamide
CID 40510335
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-1-ium-3-yl]acetamide
CID 72200875
N-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]ethyl]acetamide
CID 44456790

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide (CID 141312235) is N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide is CC(=O)NC(C)N1CC[C@@H](O)[C@H](O)[C@@H]1CO.
What is the InChIKey of N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is UPKGNRZJLOOWCW-OMMUKZPPSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-6(11-7(2)14)12-4-3-9(15)10(16)8(12)5-13/h6,8-10,13,15-16H,3-5H2,1-2H3,(H,11,14)/t6?,8-,9+,10+/m0/s1.
What are the key properties of N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of -1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 141312235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).