(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

C15H16Cl2N2O4 — CID 119372200

IUPAC(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C15H16Cl2N2O4/c1-8(14(21)19-7-3-6-11(19)15(22)23)18-13(20)9-4-2-5-10(16)12(9)17/h2,4-5,8,11H,3,6-7H2,1H3,(H,18,20)(H,22,23)/t8?,11-/m1/s1
InChIKeyWIXHEERMBLWVBT-QHDYGNBISA-N
MW359.21 g/mol
LogP2.19
Rot. Bonds4

About (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119372200) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119372200
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC Name(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C15H16Cl2N2O4/c1-8(14(21)19-7-3-6-11(19)15(22)23)18-13(20)9-4-2-5-10(16)12(9)17/h2,4-5,8,11H,3,6-7H2,1H3,(H,18,20)(H,22,23)/t8?,11-/m1/s1
InChIKeyWIXHEERMBLWVBT-QHDYGNBISA-N
XLogP2.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119634053
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119469184
(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035200
2,3-dichloro-N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 89268352
2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
CID 119418007
1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
CID 18623712
1-[2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 102559913
(2R)-1-[(2S)-2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 99639632
2,3-dichloro-N-[1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55956189
(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 119372200) is (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WIXHEERMBLWVBT-QHDYGNBISA-N. The full InChI is InChI=1S/C15H16Cl2N2O4/c1-8(14(21)19-7-3-6-11(19)15(22)23)18-13(20)9-4-2-5-10(16)12(9)17/h2,4-5,8,11H,3,6-7H2,1H3,(H,18,20)(H,22,23)/t8?,11-/m1/s1.
What are the key properties of (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 359.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119372200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).