3-aminopropanoic acid

C6H14N2O4 — CID 19078950

IUPAC3-aminopropanoic acid
SMILESNCCC(=O)O.NCCC(=O)O
InChIInChI=1S/2C3H7NO2/c2*4-2-1-3(5)6/h2*1-2,4H2,(H,5,6)
InChIKeyIEDIKTABXQYWBL-UHFFFAOYSA-N
MW178.19 g/mol
LogP-1.16
Rot. Bonds4

About 3-aminopropanoic acid

3-aminopropanoic acid (PubChem CID 19078950) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-aminopropanoic acid.

Molecular Properties

Compound Name3-aminopropanoic acid
PubChem CID19078950
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name3-aminopropanoic acid
SMILESNCCC(=O)O.NCCC(=O)O
InChIInChI=1S/2C3H7NO2/c2*4-2-1-3(5)6/h2*1-2,4H2,(H,5,6)
InChIKeyIEDIKTABXQYWBL-UHFFFAOYSA-N
XLogP-1.16
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid?
The IUPAC name of 3-aminopropanoic acid (CID 19078950) is 3-aminopropanoic acid.
What is the SMILES notation for 3-aminopropanoic acid?
The canonical SMILES for 3-aminopropanoic acid is NCCC(=O)O.NCCC(=O)O.
What is the InChIKey of 3-aminopropanoic acid?
The InChIKey is IEDIKTABXQYWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7NO2/c2*4-2-1-3(5)6/h2*1-2,4H2,(H,5,6).
What are the key properties of 3-aminopropanoic acid?
3-aminopropanoic acid has a molecular weight of 178.19 g/mol, XLogP of -1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid is sourced from PubChem (CID 19078950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).