2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid

C14H14Cl2N2O4 — CID 119171180

IUPAC2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O4/c15-8-3-4-10(16)9(6-8)14(22)18-5-1-2-11(18)13(21)17-7-12(19)20/h3-4,6,11H,1-2,5,7H2,(H,17,21)(H,19,20)
InChIKeyCJDQXHYWUBBWFG-UHFFFAOYSA-N
MW345.18 g/mol
LogP1.80
Rot. Bonds4

About 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid

2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 119171180) has the molecular formula C14H14Cl2N2O4 and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID119171180
Molecular FormulaC14H14Cl2N2O4
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC Name2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O4/c15-8-3-4-10(16)9(6-8)14(22)18-5-1-2-11(18)13(21)17-7-12(19)20/h3-4,6,11H,1-2,5,7H2,(H,17,21)(H,19,20)
InChIKeyCJDQXHYWUBBWFG-UHFFFAOYSA-N
XLogP1.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic 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

(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 95611412
1-(2,5-dichlorobenzoyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxamide
CID 55618324
propan-2-yl (2S)-3-[[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoate
CID 97018653
1-(2,5-dichlorobenzoyl)-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55605567
1-(2,5-dichlorobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55607440
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
1-(2,5-dichlorobenzoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 60589598
1-(2,5-dichlorobenzoyl)-N-[3-(3-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 55721754
(2S)-1-(2,5-dichlorobenzoyl)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 52908800
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119424492
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 56537624

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid (CID 119171180) is 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is CJDQXHYWUBBWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4/c15-8-3-4-10(16)9(6-8)14(22)18-5-1-2-11(18)13(21)17-7-12(19)20/h3-4,6,11H,1-2,5,7H2,(H,17,21)(H,19,20).
What are the key properties of 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid?
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 345.18 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 119171180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).