azanium (2S)-pyrrolidine-2-carboxylate

C5H12N2O2 — CID 141355095

IUPACazanium (2S)-pyrrolidine-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCN1.[NH4+]
InChIInChI=1S/C5H9NO2.H3N/c7-5(8)4-2-1-3-6-4;/h4,6H,1-3H2,(H,7,8);1H3/t4-;/m0./s1
InChIKeyIYAVKEQFCKMRHX-WCCKRBBISA-N
MW132.16 g/mol
LogP-1.14
Rot. Bonds1

About azanium (2S)-pyrrolidine-2-carboxylate

azanium (2S)-pyrrolidine-2-carboxylate (PubChem CID 141355095) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is azanium (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameazanium (2S)-pyrrolidine-2-carboxylate
PubChem CID141355095
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Nameazanium (2S)-pyrrolidine-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCN1.[NH4+]
InChIInChI=1S/C5H9NO2.H3N/c7-5(8)4-2-1-3-6-4;/h4,6H,1-3H2,(H,7,8);1H3/t4-;/m0./s1
InChIKeyIYAVKEQFCKMRHX-WCCKRBBISA-N
XLogP-1.14
TPSA88.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

potassium (2S)-pyrrolidine-2-carboxylate
CID 23681229
copper (2S)-pyrrolidine-2-carboxylate
CID 172711249
lithium (2S)-pyrrolidine-2-carboxylate
CID 23691818
dilithium bis((2S)-pyrrolidine-2-carboxylate)
CID 169095564
sodium (2S)-piperidine-2-carboxylate
CID 23691892
(2S)-pyrrolidine-2-carboxylate;tetrapropylazanium
CID 24866401
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(213C)azolidine-2-carboxylic acid
CID 10290769
tetrakis(2-hydroxyethyl(trimethyl)azanium);(2S)-pyrrolidine-2-carboxylate;phosphate
CID 176895346

Frequently Asked Questions

What is the IUPAC name of azanium (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of azanium (2S)-pyrrolidine-2-carboxylate (CID 141355095) is azanium (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for azanium (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for azanium (2S)-pyrrolidine-2-carboxylate is O=C([O-])[C@@H]1CCCN1.[NH4+].
What is the InChIKey of azanium (2S)-pyrrolidine-2-carboxylate?
The InChIKey is IYAVKEQFCKMRHX-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.H3N/c7-5(8)4-2-1-3-6-4;/h4,6H,1-3H2,(H,7,8);1H3/t4-;/m0./s1.
What are the key properties of azanium (2S)-pyrrolidine-2-carboxylate?
azanium (2S)-pyrrolidine-2-carboxylate has a molecular weight of 132.16 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 141355095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).