(2-acetamido-3-hydroxy-1-oxoniopropyl)azanium

C5H14N2O3+2 — CID 163895024

IUPAC(2-acetamido-3-hydroxy-1-oxoniopropyl)azanium
SMILESCC(=O)NC(CO)C([NH3+])[OH2+]
InChIInChI=1S/C5H12N2O3/c1-3(9)7-4(2-8)5(6)10/h4-5,8,10H,2,6H2,1H3,(H,7,9)/p+2
InChIKeyQEWGAQGTEBTCRM-UHFFFAOYSA-P
MW150.18 g/mol
LogP-3.22
Rot. Bonds3

About (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium

(2-acetamido-3-hydroxy-1-oxoniopropyl)azanium (PubChem CID 163895024) has the molecular formula C5H14N2O3+2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium.

Molecular Properties

Compound Name(2-acetamido-3-hydroxy-1-oxoniopropyl)azanium
PubChem CID163895024
Molecular FormulaC5H14N2O3+2
Molecular Weight150.18 g/mol
Exact Mass150.10
IUPAC Name(2-acetamido-3-hydroxy-1-oxoniopropyl)azanium
SMILESCC(=O)NC(CO)C([NH3+])[OH2+]
InChIInChI=1S/C5H12N2O3/c1-3(9)7-4(2-8)5(6)10/h4-5,8,10H,2,6H2,1H3,(H,7,9)/p+2
InChIKeyQEWGAQGTEBTCRM-UHFFFAOYSA-P
XLogP-3.22
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-3.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium 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

N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879224
2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252281
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
N-(2-hydroxy-1-sulfanylethyl)acetamide
CID 147296695
N-(1,3-dihydroxypentadecan-2-yl)acetamide
CID 54071291
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
CID 21309749
2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 79252016
N-[(2S,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
CID 171461966
(4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid
CID 118013435
3-acetamido-4-methylpentanoic acid
CID 22460001
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium?
The IUPAC name of (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium (CID 163895024) is (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium.
What is the SMILES notation for (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium?
The canonical SMILES for (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium is CC(=O)NC(CO)C([NH3+])[OH2+].
What is the InChIKey of (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium?
The InChIKey is QEWGAQGTEBTCRM-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H12N2O3/c1-3(9)7-4(2-8)5(6)10/h4-5,8,10H,2,6H2,1H3,(H,7,9)/p+2.
What are the key properties of (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium?
(2-acetamido-3-hydroxy-1-oxoniopropyl)azanium has a molecular weight of 150.18 g/mol, XLogP of -3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-3-hydroxy-1-oxoniopropyl)azanium is sourced from PubChem (CID 163895024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).