(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid

C9H16N2O5 — CID 14805115

IUPAC(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid
SMILESCC(=O)N[C@@H]1[C@@H](O)C[C@@H](C(=O)O)N[C@@H]1CO
InChIInChI=1S/C9H16N2O5/c1-4(13)10-8-6(3-12)11-5(9(15)16)2-7(8)14/h5-8,11-12,14H,2-3H2,1H3,(H,10,13)(H,15,16)/t5-,6+,7-,8-/m0/s1
InChIKeyURSMDZZDOPMGMJ-YWIQKCBGSA-N
MW232.24 g/mol
LogP-2.34
Rot. Bonds3

About (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid

(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid (PubChem CID 14805115) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid
PubChem CID14805115
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid
SMILESCC(=O)N[C@@H]1[C@@H](O)C[C@@H](C(=O)O)N[C@@H]1CO
InChIInChI=1S/C9H16N2O5/c1-4(13)10-8-6(3-12)11-5(9(15)16)2-7(8)14/h5-8,11-12,14H,2-3H2,1H3,(H,10,13)(H,15,16)/t5-,6+,7-,8-/m0/s1
InChIKeyURSMDZZDOPMGMJ-YWIQKCBGSA-N
XLogP-2.34
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid 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

(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid
CID 14805156
N-[(1S,2R,3S,4R,6S)-2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 101009658
N-[(3R,4R,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 14865842
N-[(2R,3S,4S,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 129406201
N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide
CID 15549518
methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate
CID 71226736
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 118494513
N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 22867730
(2R,4R,5R)-5-(acetamidomethyl)-4-(1H-imidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 23384468
(2S,5R)-5-(carboxymethyl)-4-methylpyrrolidine-2-carboxylic acid
CID 130875085
N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 174146683

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid (CID 14805115) is (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid is CC(=O)N[C@@H]1[C@@H](O)C[C@@H](C(=O)O)N[C@@H]1CO.
What is the InChIKey of (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid?
The InChIKey is URSMDZZDOPMGMJ-YWIQKCBGSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-4(13)10-8-6(3-12)11-5(9(15)16)2-7(8)14/h5-8,11-12,14H,2-3H2,1H3,(H,10,13)(H,15,16)/t5-,6+,7-,8-/m0/s1.
What are the key properties of (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid?
(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of -2.34, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 14805115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).