1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid

C15H19ClN2O3 — CID 106977619

IUPAC1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H19ClN2O3/c1-2-6-15(14(20)21)7-3-8-18(15)12-9-10(16)4-5-11(12)13(17)19/h4-5,9H,2-3,6-8H2,1H3,(H2,17,19)(H,20,21)
InChIKeyBQHJOOZOKVQWRK-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.66
Rot. Bonds5

About 1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977619) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977619
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C15H19ClN2O3/c1-2-6-15(14(20)21)7-3-8-18(15)12-9-10(16)4-5-11(12)13(17)19/h4-5,9H,2-3,6-8H2,1H3,(H2,17,19)(H,20,21)
InChIKeyBQHJOOZOKVQWRK-UHFFFAOYSA-N
XLogP2.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107987017
1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977589
1-(2-chloro-4-nitrophenyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977719
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979267
1-(4-bromo-2-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977125
1-(2-chloro-4-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977294
1-(3-chloro-4-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977027
1-(2-carbamoyl-4-chlorophenyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147105
1-(3-chloro-4-cyano-2-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107056599
1-(4,6-dimethoxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977561
1-(2-fluoro-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977024

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977619) is 1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is BQHJOOZOKVQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-6-15(14(20)21)7-3-8-18(15)12-9-10(16)4-5-11(12)13(17)19/h4-5,9H,2-3,6-8H2,1H3,(H2,17,19)(H,20,21).
What are the key properties of 1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-5-chlorophenyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).