4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid

C25H28N4O4 — CID 22737095

IUPAC4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CC(C(N)=O)C(c2nccn2C)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C25H28N4O4/c1-15(2)13-25(24(32)33)14-19(21(26)30)20(22-27-11-12-28(22)3)29(25)23(31)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,15,19-20H,13-14H2,1-3H3,(H2,26,30)(H,32,33)
InChIKeyKUXZOGNUGXVVHJ-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.13
Rot. Bonds6

About 4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid

4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 22737095) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID22737095
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CC(C(N)=O)C(c2nccn2C)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C25H28N4O4/c1-15(2)13-25(24(32)33)14-19(21(26)30)20(22-27-11-12-28(22)3)29(25)23(31)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,15,19-20H,13-14H2,1-3H3,(H2,26,30)(H,32,33)
InChIKeyKUXZOGNUGXVVHJ-UHFFFAOYSA-N
XLogP3.13
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 22737095) is 4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid is CC(C)CC1(C(=O)O)CC(C(N)=O)C(c2nccn2C)N1C(=O)c1cccc2ccccc12.
What is the InChIKey of 4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KUXZOGNUGXVVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-15(2)13-25(24(32)33)14-19(21(26)30)20(22-27-11-12-28(22)3)29(25)23(31)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,15,19-20H,13-14H2,1-3H3,(H2,26,30)(H,32,33).
What are the key properties of 4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid?
4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 448.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-5-(1-methylimidazol-2-yl)-2-(2-methylpropyl)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22737095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).