3-aminopropanoic acid

C3H7NO2 — CID 239

IUPAC3-aminopropanoic acid
SMILESNCCC(=O)O
InChIInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKeyUCMIRNVEIXFBKS-UHFFFAOYSA-N
MW89.09 g/mol
LogP-0.58
Rot. Bonds2

About 3-aminopropanoic acid

3-aminopropanoic acid (PubChem CID 239) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is 3-aminopropanoic acid.

Molecular Properties

Compound Name3-aminopropanoic acid
PubChem CID239
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Name3-aminopropanoic acid
SMILESNCCC(=O)O
InChIInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKeyUCMIRNVEIXFBKS-UHFFFAOYSA-N
XLogP-0.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid?
The IUPAC name of 3-aminopropanoic acid (CID 239) is 3-aminopropanoic acid.
What is the SMILES notation for 3-aminopropanoic acid?
The canonical SMILES for 3-aminopropanoic acid is NCCC(=O)O.
What is the InChIKey of 3-aminopropanoic acid?
The InChIKey is UCMIRNVEIXFBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6).
What are the key properties of 3-aminopropanoic acid?
3-aminopropanoic acid has a molecular weight of 89.09 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid is sourced from PubChem (CID 239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).