3-aminooxolane-2-carboxylic acid

C5H9NO3 — CID 53421314

IUPAC3-aminooxolane-2-carboxylic acid
SMILESNC1CCOC1C(=O)O
InChIInChI=1S/C5H9NO3/c6-3-1-2-9-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)
InChIKeyOVGHASDQKHPORW-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.81
Rot. Bonds1

About 3-aminooxolane-2-carboxylic acid

3-aminooxolane-2-carboxylic acid (PubChem CID 53421314) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 3-aminooxolane-2-carboxylic acid.

Molecular Properties

Compound Name3-aminooxolane-2-carboxylic acid
PubChem CID53421314
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name3-aminooxolane-2-carboxylic acid
SMILESNC1CCOC1C(=O)O
InChIInChI=1S/C5H9NO3/c6-3-1-2-9-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)
InChIKeyOVGHASDQKHPORW-UHFFFAOYSA-N
XLogP-0.81
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride
CID 170912384
(2S,3R)-3-aminooxolane-2-carboxamide
CID 131378832
(2S,3S)-3-aminooxetane-2-carboxylic acid
CID 55273860
1-[(2S,3R)-3-aminooxolan-2-yl]but-3-en-1-one
CID 165467410
1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one
CID 165467481
1-(3-aminooxolan-2-yl)butan-1-one
CID 165462548
3-phenyloxolane-2-carboxylic acid
CID 122200609
[(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone
CID 138031933
3a,4,5,6a-tetrahydro-3H-furo[2,3-c]dioxole-3-carboxylic acid
CID 87767546
(4S,4aR,8S,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4,8-dicarboxylic acid
CID 122399437
2-prop-1-en-2-yloxolane-3-carboxylic acid
CID 86775378
3-piperazin-1-yloxolane-2-carboxylic acid
CID 165498121

Frequently Asked Questions

What is the IUPAC name of 3-aminooxolane-2-carboxylic acid?
The IUPAC name of 3-aminooxolane-2-carboxylic acid (CID 53421314) is 3-aminooxolane-2-carboxylic acid.
What is the SMILES notation for 3-aminooxolane-2-carboxylic acid?
The canonical SMILES for 3-aminooxolane-2-carboxylic acid is NC1CCOC1C(=O)O.
What is the InChIKey of 3-aminooxolane-2-carboxylic acid?
The InChIKey is OVGHASDQKHPORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c6-3-1-2-9-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8).
What are the key properties of 3-aminooxolane-2-carboxylic acid?
3-aminooxolane-2-carboxylic acid has a molecular weight of 131.13 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxolane-2-carboxylic acid is sourced from PubChem (CID 53421314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).