1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid

C14H17ClN2O3 — CID 63145655

IUPAC1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C14H17ClN2O3/c1-2-14(12(18)19)6-7-17(9-14)13(20)16-11-5-3-4-10(15)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyIIHPEIZOOUPELE-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.06
Rot. Bonds3

About 1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid

1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63145655) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63145655
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C14H17ClN2O3/c1-2-14(12(18)19)6-7-17(9-14)13(20)16-11-5-3-4-10(15)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyIIHPEIZOOUPELE-UHFFFAOYSA-N
XLogP3.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145789
1-[(3-chlorophenyl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147580
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107530107
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 66356081
1-[(2-bromo-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107629009
4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 63125610

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid (CID 63145655) is 1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is IIHPEIZOOUPELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-2-14(12(18)19)6-7-17(9-14)13(20)16-11-5-3-4-10(15)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 296.75 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).