3-(2-hydroxyethylazaniumyl)propanoate

C5H11NO3 — CID 36690572

IUPAC3-(2-hydroxyethylazaniumyl)propanoate
SMILESO=C([O-])CC[NH2+]CCO
InChIInChI=1S/C5H11NO3/c7-4-3-6-2-1-5(8)9/h6-7H,1-4H2,(H,8,9)
InChIKeyPPDDDJFBMYJHBK-UHFFFAOYSA-N
MW133.15 g/mol
LogP-3.32
Rot. Bonds5

About 3-(2-hydroxyethylazaniumyl)propanoate

3-(2-hydroxyethylazaniumyl)propanoate (PubChem CID 36690572) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-(2-hydroxyethylazaniumyl)propanoate.

Molecular Properties

Compound Name3-(2-hydroxyethylazaniumyl)propanoate
PubChem CID36690572
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name3-(2-hydroxyethylazaniumyl)propanoate
SMILESO=C([O-])CC[NH2+]CCO
InChIInChI=1S/C5H11NO3/c7-4-3-6-2-1-5(8)9/h6-7H,1-4H2,(H,8,9)
InChIKeyPPDDDJFBMYJHBK-UHFFFAOYSA-N
XLogP-3.32
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-3.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-beta-alanine
CID 222905
3-[(3-Hydroxypropyl)amino]propanoic acid
CID 13973648
Methyl 3-[(2-methoxyethyl)amino]propanoate
CID 28307088
Sodium 2-[(3-hydroxypropyl)amino]acetate
CID 88638121
Glycine, N-(3-hydroxypropyl)-
CID 10313156
3-[(2-Methoxyethyl)amino]propanoic acid hydrochloride
CID 137935302
N-(3-Oxopropyl)glycine
CID 49866800
N-(tris(hydroxymethyl)methyl)-beta-alanine
CID 10418393
Bis(2-hydroxyethyl)ammonium propionate
CID 21902849
Methyl 3-[(2-Hydroxyethyl)amino]propanoate
CID 22352926
Hydroxyethyloxopropylamine
CID 22439460
N-(2-Hydroxyethyl)-beta-alanine ethyl ester
CID 43389829

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylazaniumyl)propanoate?
The IUPAC name of 3-(2-hydroxyethylazaniumyl)propanoate (CID 36690572) is 3-(2-hydroxyethylazaniumyl)propanoate.
What is the SMILES notation for 3-(2-hydroxyethylazaniumyl)propanoate?
The canonical SMILES for 3-(2-hydroxyethylazaniumyl)propanoate is O=C([O-])CC[NH2+]CCO.
What is the InChIKey of 3-(2-hydroxyethylazaniumyl)propanoate?
The InChIKey is PPDDDJFBMYJHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c7-4-3-6-2-1-5(8)9/h6-7H,1-4H2,(H,8,9).
What are the key properties of 3-(2-hydroxyethylazaniumyl)propanoate?
3-(2-hydroxyethylazaniumyl)propanoate has a molecular weight of 133.15 g/mol, XLogP of -3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylazaniumyl)propanoate is sourced from PubChem (CID 36690572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).