3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

C11H13ClN2O2 — CID 117011902

IUPAC3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccccc2Cl)C1
InChIInChI=1S/C11H13ClN2O2/c12-8-3-1-2-4-9(8)14-6-5-11(13,7-14)10(15)16/h1-4H,5-7,13H2,(H,15,16)
InChIKeyGRJGCEVXWXGQJB-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.33
Rot. Bonds2

About 3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117011902) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID117011902
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccccc2Cl)C1
InChIInChI=1S/C11H13ClN2O2/c12-8-3-1-2-4-9(8)14-6-5-11(13,7-14)10(15)16/h1-4H,5-7,13H2,(H,15,16)
InChIKeyGRJGCEVXWXGQJB-UHFFFAOYSA-N
XLogP1.33
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 107325295
3-amino-1-(5-chloro-2-cyanophenyl)pyrrolidine-3-carboxylic acid
CID 107325093
4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 117011781
3-amino-1-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117011884
3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid
CID 107325364
3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol
CID 115035884
3-amino-1-[(2-chloro-6-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321493
3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323701
1-(2-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147397
3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 107325193
3-amino-1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107322940
1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147406

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid (CID 117011902) is 3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(c2ccccc2Cl)C1.
What is the InChIKey of 3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GRJGCEVXWXGQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-8-3-1-2-4-9(8)14-6-5-11(13,7-14)10(15)16/h1-4H,5-7,13H2,(H,15,16).
What are the key properties of 3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 240.69 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117011902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).