3-[hydroxy(methyl)amino]propanoic acid

C4H9NO3 — CID 23382913

IUPAC3-[hydroxy(methyl)amino]propanoic acid
SMILESCN(O)CCC(=O)O
InChIInChI=1S/C4H9NO3/c1-5(8)3-2-4(6)7/h8H,2-3H2,1H3,(H,6,7)
InChIKeyXLPFKJUOTOGJCV-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.22
Rot. Bonds3

About 3-[hydroxy(methyl)amino]propanoic acid

3-[hydroxy(methyl)amino]propanoic acid (PubChem CID 23382913) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 3-[hydroxy(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[hydroxy(methyl)amino]propanoic acid
PubChem CID23382913
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name3-[hydroxy(methyl)amino]propanoic acid
SMILESCN(O)CCC(=O)O
InChIInChI=1S/C4H9NO3/c1-5(8)3-2-4(6)7/h8H,2-3H2,1H3,(H,6,7)
InChIKeyXLPFKJUOTOGJCV-UHFFFAOYSA-N
XLogP-0.22
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(methyl)amino]propanoic acid?
The IUPAC name of 3-[hydroxy(methyl)amino]propanoic acid (CID 23382913) is 3-[hydroxy(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[hydroxy(methyl)amino]propanoic acid?
The canonical SMILES for 3-[hydroxy(methyl)amino]propanoic acid is CN(O)CCC(=O)O.
What is the InChIKey of 3-[hydroxy(methyl)amino]propanoic acid?
The InChIKey is XLPFKJUOTOGJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-5(8)3-2-4(6)7/h8H,2-3H2,1H3,(H,6,7).
What are the key properties of 3-[hydroxy(methyl)amino]propanoic acid?
3-[hydroxy(methyl)amino]propanoic acid has a molecular weight of 119.12 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(methyl)amino]propanoic acid is sourced from PubChem (CID 23382913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).