1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid

C15H15Cl2NO3 — CID 119356326

IUPAC1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO3/c16-11-4-1-3-8(13(11)17)9-7-10(9)14(19)18-6-2-5-12(18)15(20)21/h1,3-4,9-10,12H,2,5-7H2,(H,20,21)
InChIKeyGHXUMCVIMHUVIP-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.17
Rot. Bonds3

About 1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid

1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356326) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.19 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119356326
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.19 g/mol
Exact Mass327.04
IUPAC Name1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO3/c16-11-4-1-3-8(13(11)17)9-7-10(9)14(19)18-6-2-5-12(18)15(20)21/h1,3-4,9-10,12H,2,5-7H2,(H,20,21)
InChIKeyGHXUMCVIMHUVIP-UHFFFAOYSA-N
XLogP3.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370659
1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 119175952
(2S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 125119691
1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 95620484
(2S)-1-[(1S,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 129435444
(2R)-1-[(1S,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 99849301
1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119355577
(2R)-1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370609
(2R)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125151988
(2R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124577107
[(1R,2R)-2-(2,3-dichlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 97315628
(2S)-1-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119365687

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid (CID 119356326) is 1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1CC1c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GHXUMCVIMHUVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c16-11-4-1-3-8(13(11)17)9-7-10(9)14(19)18-6-2-5-12(18)15(20)21/h1,3-4,9-10,12H,2,5-7H2,(H,20,21).
What are the key properties of 1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid?
1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 328.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).