3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid

C15H16Cl2N2O4 — CID 119351543

IUPAC3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O4/c16-10-4-3-9(8-11(10)17)15(23)19-7-1-2-12(19)14(22)18-6-5-13(20)21/h3-4,8,12H,1-2,5-7H2,(H,18,22)(H,20,21)
InChIKeyUIPOZYDDTYYUOY-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.19
Rot. Bonds5

About 3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid

3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 119351543) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is 3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID119351543
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC Name3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O4/c16-10-4-3-9(8-11(10)17)15(23)19-7-1-2-12(19)14(22)18-6-5-13(20)21/h3-4,8,12H,1-2,5-7H2,(H,18,22)(H,20,21)
InChIKeyUIPOZYDDTYYUOY-UHFFFAOYSA-N
XLogP2.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119503508
1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide
CID 119448407
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 78868255
4-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119170941
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768
5-[[1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 119235014
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302
3-[[1-(1-hydroxy-3H-2,1-benzoxaborole-6-carbonyl)pyrrolidine-2-carbonyl]amino]propanoic acid;1-hydroxy-3H-2,1-benzoxaborole-6-carboxamide
CID 170597471
(2S)-1-(3,4-dichlorobenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 51938354

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid (CID 119351543) is 3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is UIPOZYDDTYYUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4/c16-10-4-3-9(8-11(10)17)15(23)19-7-1-2-12(19)14(22)18-6-5-13(20)21/h3-4,8,12H,1-2,5-7H2,(H,18,22)(H,20,21).
What are the key properties of 3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid?
3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 359.21 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119351543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).