3-hydroxy-2-(methylamino)propanoic acid

C4H9NO3 — CID 554048

IUPAC3-hydroxy-2-(methylamino)propanoic acid
SMILESCNC(CO)C(=O)O
InChIInChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)
InChIKeyPSFABYLDRXJYID-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.35
Rot. Bonds3

About 3-hydroxy-2-(methylamino)propanoic acid

3-hydroxy-2-(methylamino)propanoic acid (PubChem CID 554048) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 3-hydroxy-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(methylamino)propanoic acid
PubChem CID554048
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name3-hydroxy-2-(methylamino)propanoic acid
SMILESCNC(CO)C(=O)O
InChIInChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)
InChIKeyPSFABYLDRXJYID-UHFFFAOYSA-N
XLogP-1.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(methylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(methylamino)propanoic acid (CID 554048) is 3-hydroxy-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(methylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(methylamino)propanoic acid is CNC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(methylamino)propanoic acid?
The InChIKey is PSFABYLDRXJYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8).
What are the key properties of 3-hydroxy-2-(methylamino)propanoic acid?
3-hydroxy-2-(methylamino)propanoic acid has a molecular weight of 119.12 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(methylamino)propanoic acid is sourced from PubChem (CID 554048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).