3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid

C12H12Cl2N2O3 — CID 107323701

IUPAC3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C12H12Cl2N2O3/c13-8-3-1-2-7(9(8)14)10(17)16-5-4-12(15,6-16)11(18)19/h1-3H,4-6,15H2,(H,18,19)
InChIKeyOGIYDGQPMZFLMP-UHFFFAOYSA-N
MW303.14 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323701) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.14 g/mol. Its IUPAC name is 3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID107323701
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC Name3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C12H12Cl2N2O3/c13-8-3-1-2-7(9(8)14)10(17)16-5-4-12(15,6-16)11(18)19/h1-3H,4-6,15H2,(H,18,19)
InChIKeyOGIYDGQPMZFLMP-UHFFFAOYSA-N
XLogP1.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323260
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072
3-amino-1-(4-chloro-2,5-difluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323452
3-amino-1-(4-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323378
3-amino-1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323154
3-amino-1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107322940
[3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 154816582
3-amino-1-[(2-chloro-6-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321493
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107322971
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
3-amino-1-(4-iodobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323592

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid (CID 107323701) is 3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)c2cccc(Cl)c2Cl)C1.
What is the InChIKey of 3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OGIYDGQPMZFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c13-8-3-1-2-7(9(8)14)10(17)16-5-4-12(15,6-16)11(18)19/h1-3H,4-6,15H2,(H,18,19).
What are the key properties of 3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 303.14 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).