(4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid

C15H16Cl2N2O4 — CID 171546092

IUPAC(4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid
SMILESCC(=O)N1C[C@H](NC(=O)Cc2ccc(Cl)cc2Cl)CC1C(=O)O
InChIInChI=1S/C15H16Cl2N2O4/c1-8(20)19-7-11(6-13(19)15(22)23)18-14(21)4-9-2-3-10(16)5-12(9)17/h2-3,5,11,13H,4,6-7H2,1H3,(H,18,21)(H,22,23)/t11-,13?/m1/s1
InChIKeyBWKWMACIDQIZNV-JTDNENJMSA-N
MW359.21 g/mol
LogP1.73
Rot. Bonds4

About (4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid

(4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid (PubChem CID 171546092) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is (4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid
PubChem CID171546092
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC Name(4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid
SMILESCC(=O)N1C[C@H](NC(=O)Cc2ccc(Cl)cc2Cl)CC1C(=O)O
InChIInChI=1S/C15H16Cl2N2O4/c1-8(20)19-7-11(6-13(19)15(22)23)18-14(21)4-9-2-3-10(16)5-12(9)17/h2-3,5,11,13H,4,6-7H2,1H3,(H,18,21)(H,22,23)/t11-,13?/m1/s1
InChIKeyBWKWMACIDQIZNV-JTDNENJMSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of (4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid (CID 171546092) is (4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid is CC(=O)N1C[C@H](NC(=O)Cc2ccc(Cl)cc2Cl)CC1C(=O)O.
What is the InChIKey of (4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid?
The InChIKey is BWKWMACIDQIZNV-JTDNENJMSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4/c1-8(20)19-7-11(6-13(19)15(22)23)18-14(21)4-9-2-3-10(16)5-12(9)17/h2-3,5,11,13H,4,6-7H2,1H3,(H,18,21)(H,22,23)/t11-,13?/m1/s1.
What are the key properties of (4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid?
(4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid has a molecular weight of 359.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-acetyl-4-[[2-(2,4-dichlorophenyl)acetyl]amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 171546092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).