azanium (2R)-oxolane-2-carboxylate

C5H11NO3 — CID 141340270

IUPACazanium (2R)-oxolane-2-carboxylate
SMILESO=C([O-])[C@H]1CCCO1.[NH4+]
InChIInChI=1S/C5H8O3.H3N/c6-5(7)4-2-1-3-8-4;/h4H,1-3H2,(H,6,7);1H3/t4-;/m1./s1
InChIKeyWMQBIYODKYZWKF-PGMHMLKASA-N
MW133.15 g/mol
LogP-0.71
Rot. Bonds1

About azanium (2R)-oxolane-2-carboxylate

azanium (2R)-oxolane-2-carboxylate (PubChem CID 141340270) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is azanium (2R)-oxolane-2-carboxylate.

Molecular Properties

Compound Nameazanium (2R)-oxolane-2-carboxylate
PubChem CID141340270
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameazanium (2R)-oxolane-2-carboxylate
SMILESO=C([O-])[C@H]1CCCO1.[NH4+]
InChIInChI=1S/C5H8O3.H3N/c6-5(7)4-2-1-3-8-4;/h4H,1-3H2,(H,6,7);1H3/t4-;/m1./s1
InChIKeyWMQBIYODKYZWKF-PGMHMLKASA-N
XLogP-0.71
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(oxolane-2-carboxylate);oxolane-2-carboxylic acid;titanium(3+);chloride
CID 157205388
oxolane-2-carboxylic acid;silver
CID 160678639
cyclopropyl(oxolan-2-yl)methanone
CID 65331065
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
2,3,3-tris(oxolan-2-yl)prop-2-enoic acid
CID 66885031
(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
CID 87727117
dichlorocobalt;oxolane-2-carboxylic acid
CID 70626660
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
lithium trioxepane-4-carboxylate
CID 175798108
(2S)-N'-acetyloxolane-2-carbohydrazide
CID 131155943
aluminum tris(oxirane-2-carboxylate)
CID 175868162
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998

Frequently Asked Questions

What is the IUPAC name of azanium (2R)-oxolane-2-carboxylate?
The IUPAC name of azanium (2R)-oxolane-2-carboxylate (CID 141340270) is azanium (2R)-oxolane-2-carboxylate.
What is the SMILES notation for azanium (2R)-oxolane-2-carboxylate?
The canonical SMILES for azanium (2R)-oxolane-2-carboxylate is O=C([O-])[C@H]1CCCO1.[NH4+].
What is the InChIKey of azanium (2R)-oxolane-2-carboxylate?
The InChIKey is WMQBIYODKYZWKF-PGMHMLKASA-N. The full InChI is InChI=1S/C5H8O3.H3N/c6-5(7)4-2-1-3-8-4;/h4H,1-3H2,(H,6,7);1H3/t4-;/m1./s1.
What are the key properties of azanium (2R)-oxolane-2-carboxylate?
azanium (2R)-oxolane-2-carboxylate has a molecular weight of 133.15 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 141340270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).