sodium;pyrrolidine-2-carboxylic acid;chloride

C5H9ClNNaO2 — CID 68997199

IUPACsodium;pyrrolidine-2-carboxylic acid;chloride
SMILESO=C(O)C1CCCN1.[Cl-].[Na+]
InChIInChI=1S/C5H9NO2.ClH.Na/c7-5(8)4-2-1-3-6-4;;/h4,6H,1-3H2,(H,7,8);1H;/q;;+1/p-1
InChIKeyJTPDRYGRGBHNRZ-UHFFFAOYSA-M
MW173.57 g/mol
LogP-6.17
Rot. Bonds1

About sodium;pyrrolidine-2-carboxylic acid;chloride

sodium;pyrrolidine-2-carboxylic acid;chloride (PubChem CID 68997199) has the molecular formula C5H9ClNNaO2 and a molecular weight of 173.57 g/mol. Its IUPAC name is sodium;pyrrolidine-2-carboxylic acid;chloride.

Molecular Properties

Compound Namesodium;pyrrolidine-2-carboxylic acid;chloride
PubChem CID68997199
Molecular FormulaC5H9ClNNaO2
Molecular Weight173.57 g/mol
Exact Mass173.02
IUPAC Namesodium;pyrrolidine-2-carboxylic acid;chloride
SMILESO=C(O)C1CCCN1.[Cl-].[Na+]
InChIInChI=1S/C5H9NO2.ClH.Na/c7-5(8)4-2-1-3-6-4;;/h4,6H,1-3H2,(H,7,8);1H;/q;;+1/p-1
InChIKeyJTPDRYGRGBHNRZ-UHFFFAOYSA-M
XLogP-6.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 5-6.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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calcium;(2S)-pyrrolidine-2-carboxylic acid;dichloride
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CID 614
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
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CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640

Frequently Asked Questions

What is the IUPAC name of sodium;pyrrolidine-2-carboxylic acid;chloride?
The IUPAC name of sodium;pyrrolidine-2-carboxylic acid;chloride (CID 68997199) is sodium;pyrrolidine-2-carboxylic acid;chloride.
What is the SMILES notation for sodium;pyrrolidine-2-carboxylic acid;chloride?
The canonical SMILES for sodium;pyrrolidine-2-carboxylic acid;chloride is O=C(O)C1CCCN1.[Cl-].[Na+].
What is the InChIKey of sodium;pyrrolidine-2-carboxylic acid;chloride?
The InChIKey is JTPDRYGRGBHNRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO2.ClH.Na/c7-5(8)4-2-1-3-6-4;;/h4,6H,1-3H2,(H,7,8);1H;/q;;+1/p-1.
What are the key properties of sodium;pyrrolidine-2-carboxylic acid;chloride?
sodium;pyrrolidine-2-carboxylic acid;chloride has a molecular weight of 173.57 g/mol, XLogP of -6.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;pyrrolidine-2-carboxylic acid;chloride is sourced from PubChem (CID 68997199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).