lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate

C8H11ClLiNO3 — CID 142547749

IUPAClithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate
SMILESC[C@@H](Cl)C(=O)N1CCC[C@@H]1C(=O)[O-].[Li+]
InChIInChI=1S/C8H12ClNO3.Li/c1-5(9)7(11)10-4-2-3-6(10)8(12)13;/h5-6H,2-4H2,1H3,(H,12,13);/q;+1/p-1/t5-,6-;/m1./s1
InChIKeyNJMYCISLOULNTL-KGZKBUQUSA-M
MW211.57 g/mol
LogP-3.64
Rot. Bonds2

About lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate

lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate (PubChem CID 142547749) has the molecular formula C8H11ClLiNO3 and a molecular weight of 211.57 g/mol. Its IUPAC name is lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namelithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate
PubChem CID142547749
Molecular FormulaC8H11ClLiNO3
Molecular Weight211.57 g/mol
Exact Mass211.06
IUPAC Namelithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate
SMILESC[C@@H](Cl)C(=O)N1CCC[C@@H]1C(=O)[O-].[Li+]
InChIInChI=1S/C8H12ClNO3.Li/c1-5(9)7(11)10-4-2-3-6(10)8(12)13;/h5-6H,2-4H2,1H3,(H,12,13);/q;+1/p-1/t5-,6-;/m1./s1
InChIKeyNJMYCISLOULNTL-KGZKBUQUSA-M
XLogP-3.64
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 5-3.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate
CID 139677117
potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 23715032
sodium 1-(2-methyl-3-sulfanylpropanoyl)piperidine-2-carboxylate
CID 88787958
disodium bis((2S)-1-[(2S)-2-[[oxo(phenyl)phosphaniumyl]amino]propanoyl]pyrrolidine-2-carboxylate)
CID 22819193
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2S)-1-[2-(disulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 58153789
(2R)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 132526338
1-[2-(2-chloroacetyl)pyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 142234365
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955

Frequently Asked Questions

What is the IUPAC name of lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate (CID 142547749) is lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate is C[C@@H](Cl)C(=O)N1CCC[C@@H]1C(=O)[O-].[Li+].
What is the InChIKey of lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate?
The InChIKey is NJMYCISLOULNTL-KGZKBUQUSA-M. The full InChI is InChI=1S/C8H12ClNO3.Li/c1-5(9)7(11)10-4-2-3-6(10)8(12)13;/h5-6H,2-4H2,1H3,(H,12,13);/q;+1/p-1/t5-,6-;/m1./s1.
What are the key properties of lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate?
lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate has a molecular weight of 211.57 g/mol, XLogP of -3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 142547749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).