2-amino-3-(oxetan-3-yloxy)propanoic acid

C6H11NO4 — CID 102605330

IUPAC2-amino-3-(oxetan-3-yloxy)propanoic acid
SMILESNC(COC1COC1)C(=O)O
InChIInChI=1S/C6H11NO4/c7-5(6(8)9)3-11-4-1-10-2-4/h4-5H,1-3,7H2,(H,8,9)
InChIKeyAUMDTELNBINJPZ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.19
Rot. Bonds4

About 2-amino-3-(oxetan-3-yloxy)propanoic acid

2-amino-3-(oxetan-3-yloxy)propanoic acid (PubChem CID 102605330) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-amino-3-(oxetan-3-yloxy)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(oxetan-3-yloxy)propanoic acid
PubChem CID102605330
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-amino-3-(oxetan-3-yloxy)propanoic acid
SMILESNC(COC1COC1)C(=O)O
InChIInChI=1S/C6H11NO4/c7-5(6(8)9)3-11-4-1-10-2-4/h4-5H,1-3,7H2,(H,8,9)
InChIKeyAUMDTELNBINJPZ-UHFFFAOYSA-N
XLogP-1.19
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-(oxetan-3-yloxy)propanoic acid
CID 102608421
oxetan-3-yl (2S)-2-amino-4-methylpentanoate
CID 102606734
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
(2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid
CID 155210090
(2S)-1-(oxetan-3-yloxy)butan-2-ol
CID 124603358
(2R)-1-(oxetan-3-yloxy)butan-2-ol
CID 124603359
oxetan-3-yl 2-aminopentanoate
CID 102606817
2-amino-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
CID 174237871
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
(2S)-2-(oxetan-3-yloxy)propanoic acid
CID 103338261
2-amino-3-[3-chloro-4-(oxetan-3-yloxy)phenyl]propanoic acid
CID 117431915
2-amino-3-[3-methoxy-4-(oxetan-3-yloxy)phenyl]propanoic acid
CID 117421344

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(oxetan-3-yloxy)propanoic acid?
The IUPAC name of 2-amino-3-(oxetan-3-yloxy)propanoic acid (CID 102605330) is 2-amino-3-(oxetan-3-yloxy)propanoic acid.
What is the SMILES notation for 2-amino-3-(oxetan-3-yloxy)propanoic acid?
The canonical SMILES for 2-amino-3-(oxetan-3-yloxy)propanoic acid is NC(COC1COC1)C(=O)O.
What is the InChIKey of 2-amino-3-(oxetan-3-yloxy)propanoic acid?
The InChIKey is AUMDTELNBINJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c7-5(6(8)9)3-11-4-1-10-2-4/h4-5H,1-3,7H2,(H,8,9).
What are the key properties of 2-amino-3-(oxetan-3-yloxy)propanoic acid?
2-amino-3-(oxetan-3-yloxy)propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(oxetan-3-yloxy)propanoic acid is sourced from PubChem (CID 102605330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).