4-amino-3-hydroxybutan-2-one;molecular hydrogen

C4H11NO2 — CID 144542885

IUPAC4-amino-3-hydroxybutan-2-one;molecular hydrogen
SMILESCC(=O)C(O)CN.[H][H]
InChIInChI=1S/C4H9NO2.H2/c1-3(6)4(7)2-5;/h4,7H,2,5H2,1H3;1H
InChIKeyABJHLBGWYTUKCS-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.86
Rot. Bonds2

About 4-amino-3-hydroxybutan-2-one;molecular hydrogen

4-amino-3-hydroxybutan-2-one;molecular hydrogen (PubChem CID 144542885) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 4-amino-3-hydroxybutan-2-one;molecular hydrogen.

Molecular Properties

Compound Name4-amino-3-hydroxybutan-2-one;molecular hydrogen
PubChem CID144542885
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name4-amino-3-hydroxybutan-2-one;molecular hydrogen
SMILESCC(=O)C(O)CN.[H][H]
InChIInChI=1S/C4H9NO2.H2/c1-3(6)4(7)2-5;/h4,7H,2,5H2,1H3;1H
InChIKeyABJHLBGWYTUKCS-UHFFFAOYSA-N
XLogP-0.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-3-hydroxybutan-2-one;molecular hydrogen 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

4-amino-3-hydroxybutan-2-one
CID 22025309
acetic acid;3-amino-2-hydroxypropanoic acid
CID 172822941
acetamide;2-aminoethane-1,1-diol
CID 174289451
(2R)-3-amino-2-hydroxy-N-methylpropanamide
CID 55284383
4-bromo-3-hydroxybutan-2-one
CID 87260532
3-hydroxypentan-2-one;zinc
CID 174642767
(2R)-3-amino-2-hydroxypropanoic acid;hydrochloride
CID 87417559
4-amino-3-sulfanylbutan-2-one
CID 54421211
3-hydroxyhexan-2-one
CID 15525237
3-amino-2-hydroxypropanoic acid;oxalic acid
CID 162306436
4,6-diamino-3,5-dihydroxyhexan-2-one
CID 134382190
2-methoxyethyl 3-amino-2-hydroxypropanoate
CID 66165602

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxybutan-2-one;molecular hydrogen?
The IUPAC name of 4-amino-3-hydroxybutan-2-one;molecular hydrogen (CID 144542885) is 4-amino-3-hydroxybutan-2-one;molecular hydrogen.
What is the SMILES notation for 4-amino-3-hydroxybutan-2-one;molecular hydrogen?
The canonical SMILES for 4-amino-3-hydroxybutan-2-one;molecular hydrogen is CC(=O)C(O)CN.[H][H].
What is the InChIKey of 4-amino-3-hydroxybutan-2-one;molecular hydrogen?
The InChIKey is ABJHLBGWYTUKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.H2/c1-3(6)4(7)2-5;/h4,7H,2,5H2,1H3;1H.
What are the key properties of 4-amino-3-hydroxybutan-2-one;molecular hydrogen?
4-amino-3-hydroxybutan-2-one;molecular hydrogen has a molecular weight of 105.14 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxybutan-2-one;molecular hydrogen is sourced from PubChem (CID 144542885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).