(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride

C5H10ClNO3 — CID 170912384

IUPAC(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CCO[C@H]1C(=O)O
InChIInChI=1S/C5H9NO3.ClH/c6-3-1-2-9-4(3)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m1./s1
InChIKeyBMSTUCQOEDYABE-VKKIDBQXSA-N
MW167.59 g/mol
LogP-0.39
Rot. Bonds1

About (2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride

(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride (PubChem CID 170912384) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is (2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride
PubChem CID170912384
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Name(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CCO[C@H]1C(=O)O
InChIInChI=1S/C5H9NO3.ClH/c6-3-1-2-9-4(3)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m1./s1
InChIKeyBMSTUCQOEDYABE-VKKIDBQXSA-N
XLogP-0.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminooxolane-2-carboxylic acid
CID 53421314
(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-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride
CID 122235478
(2S,3S)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride
CID 86812226
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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride (CID 170912384) is (2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride is Cl.N[C@@H]1CCO[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride?
The InChIKey is BMSTUCQOEDYABE-VKKIDBQXSA-N. The full InChI is InChI=1S/C5H9NO3.ClH/c6-3-1-2-9-4(3)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m1./s1.
What are the key properties of (2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride?
(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride has a molecular weight of 167.59 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 170912384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).