2-(hydroxymethyl)-3-(methylamino)propanoic acid

C5H11NO3 — CID 89475353

IUPAC2-(hydroxymethyl)-3-(methylamino)propanoic acid
SMILESCNCC(CO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-6-2-4(3-7)5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeySARSCFXTXRHTDC-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.10
Rot. Bonds4

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

2-(hydroxymethyl)-3-(methylamino)propanoic acid (PubChem CID 89475353) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-(methylamino)propanoic acid
PubChem CID89475353
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-(hydroxymethyl)-3-(methylamino)propanoic acid
SMILESCNCC(CO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-6-2-4(3-7)5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeySARSCFXTXRHTDC-UHFFFAOYSA-N
XLogP-1.10
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-(methylamino)propanoic acid?
The IUPAC name of 2-(hydroxymethyl)-3-(methylamino)propanoic acid (CID 89475353) is 2-(hydroxymethyl)-3-(methylamino)propanoic acid.
What is the SMILES notation for 2-(hydroxymethyl)-3-(methylamino)propanoic acid?
The canonical SMILES for 2-(hydroxymethyl)-3-(methylamino)propanoic acid is CNCC(CO)C(=O)O.
What is the InChIKey of 2-(hydroxymethyl)-3-(methylamino)propanoic acid?
The InChIKey is SARSCFXTXRHTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6-2-4(3-7)5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(hydroxymethyl)-3-(methylamino)propanoic acid?
2-(hydroxymethyl)-3-(methylamino)propanoic acid has a molecular weight of 133.15 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-(methylamino)propanoic acid is sourced from PubChem (CID 89475353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).