(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid

C8H12ClNO3 — CID 10845919

IUPAC(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H](Cl)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H12ClNO3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)/t5-,6+/m1/s1
InChIKeyCIEDIKDUUQOLRR-RITPCOANSA-N
MW205.64 g/mol
LogP0.69
Rot. Bonds2

About (2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 10845919) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID10845919
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H](Cl)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H12ClNO3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)/t5-,6+/m1/s1
InChIKeyCIEDIKDUUQOLRR-RITPCOANSA-N
XLogP0.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate
CID 142547749
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 12718469
1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 56605024
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
(2S)-1-[2-(disulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 58153789
(2S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61137826
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
1-[(2S)-2-methyl-3-methylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 69024152

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid (CID 10845919) is (2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid is C[C@@H](Cl)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CIEDIKDUUQOLRR-RITPCOANSA-N. The full InChI is InChI=1S/C8H12ClNO3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)/t5-,6+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 205.64 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10845919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).