4-amino-3-hydroxybutan-2-one

C4H9NO2 — CID 22025309

IUPAC4-amino-3-hydroxybutan-2-one
SMILESCC(=O)C(O)CN
InChIInChI=1S/C4H9NO2/c1-3(6)4(7)2-5/h4,7H,2,5H2,1H3
InChIKeyKWCHGHCWERZDGX-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.11
Rot. Bonds2

About 4-amino-3-hydroxybutan-2-one

4-amino-3-hydroxybutan-2-one (PubChem CID 22025309) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 4-amino-3-hydroxybutan-2-one.

Molecular Properties

Compound Name4-amino-3-hydroxybutan-2-one
PubChem CID22025309
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name4-amino-3-hydroxybutan-2-one
SMILESCC(=O)C(O)CN
InChIInChI=1S/C4H9NO2/c1-3(6)4(7)2-5/h4,7H,2,5H2,1H3
InChIKeyKWCHGHCWERZDGX-UHFFFAOYSA-N
XLogP-1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxybutan-2-one?
The IUPAC name of 4-amino-3-hydroxybutan-2-one (CID 22025309) is 4-amino-3-hydroxybutan-2-one.
What is the SMILES notation for 4-amino-3-hydroxybutan-2-one?
The canonical SMILES for 4-amino-3-hydroxybutan-2-one is CC(=O)C(O)CN.
What is the InChIKey of 4-amino-3-hydroxybutan-2-one?
The InChIKey is KWCHGHCWERZDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(6)4(7)2-5/h4,7H,2,5H2,1H3.
What are the key properties of 4-amino-3-hydroxybutan-2-one?
4-amino-3-hydroxybutan-2-one has a molecular weight of 103.12 g/mol, XLogP of -1.11, 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 is sourced from PubChem (CID 22025309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).