2-azaniumyl-3-hydroxybutanoate

C4H9NO3 — CID 15341575

IUPAC2-azaniumyl-3-hydroxybutanoate
SMILESCC(O)C([NH3+])C(=O)[O-]
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
InChIKeyAYFVYJQAPQTCCC-UHFFFAOYSA-N
MW119.12 g/mol
LogP-3.27
Rot. Bonds2

About 2-azaniumyl-3-hydroxybutanoate

2-azaniumyl-3-hydroxybutanoate (PubChem CID 15341575) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-azaniumyl-3-hydroxybutanoate.

Molecular Properties

Compound Name2-azaniumyl-3-hydroxybutanoate
PubChem CID15341575
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-azaniumyl-3-hydroxybutanoate
SMILESCC(O)C([NH3+])C(=O)[O-]
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
InChIKeyAYFVYJQAPQTCCC-UHFFFAOYSA-N
XLogP-3.27
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-3.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-azaniumyl-3-hydroxybutanoate
CID 6995277
(2R,3S,4R)-2-azaniumyl-4-hydroxy-3-methylpentanoate
CID 26082623
(2R)-2-azaniumyl-3-methylbutanoate
CID 6971095
2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)
CID 139301413
(2R,3S)-2-azaniumyl-3-hydroxypentanoate
CID 86308698
(2S,3R)-3-hydroxy-2-methylbutanoate
CID 18654775
(2S,3S)-2-azaniumyl-4,4,4-trifluoro-3-methylbutanoate
CID 6992670
propan-2-ylazanium acetate
CID 22623609
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
potassium 2-hydroxypropanoate
CID 23671663
silver (2R)-2-hydroxypropanoate
CID 14178856
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044

Frequently Asked Questions

What is the IUPAC name of 2-azaniumyl-3-hydroxybutanoate?
The IUPAC name of 2-azaniumyl-3-hydroxybutanoate (CID 15341575) is 2-azaniumyl-3-hydroxybutanoate.
What is the SMILES notation for 2-azaniumyl-3-hydroxybutanoate?
The canonical SMILES for 2-azaniumyl-3-hydroxybutanoate is CC(O)C([NH3+])C(=O)[O-].
What is the InChIKey of 2-azaniumyl-3-hydroxybutanoate?
The InChIKey is AYFVYJQAPQTCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8).
What are the key properties of 2-azaniumyl-3-hydroxybutanoate?
2-azaniumyl-3-hydroxybutanoate has a molecular weight of 119.12 g/mol, XLogP of -3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumyl-3-hydroxybutanoate is sourced from PubChem (CID 15341575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).