4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid

C26H30N4O4 — CID 57031053

IUPAC4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid
SMILESC[C@H](Cc1cn(C(=O)O)cn1)NC(=O)C(CC(=O)N1CCCC1)Cc1cccc2ccccc12
InChIInChI=1S/C26H30N4O4/c1-18(13-22-16-30(17-27-22)26(33)34)28-25(32)21(15-24(31)29-11-4-5-12-29)14-20-9-6-8-19-7-2-3-10-23(19)20/h2-3,6-10,16-18,21H,4-5,11-15H2,1H3,(H,28,32)(H,33,34)/t18-,21?/m1/s1
InChIKeyUTDJRBTZBZLJSW-ITUIMRKVSA-N
MW462.55 g/mol
LogP3.48
Rot. Bonds8

About 4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid

4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid (PubChem CID 57031053) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid
PubChem CID57031053
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid
SMILESC[C@H](Cc1cn(C(=O)O)cn1)NC(=O)C(CC(=O)N1CCCC1)Cc1cccc2ccccc12
InChIInChI=1S/C26H30N4O4/c1-18(13-22-16-30(17-27-22)26(33)34)28-25(32)21(15-24(31)29-11-4-5-12-29)14-20-9-6-8-19-7-2-3-10-23(19)20/h2-3,6-10,16-18,21H,4-5,11-15H2,1H3,(H,28,32)(H,33,34)/t18-,21?/m1/s1
InChIKeyUTDJRBTZBZLJSW-ITUIMRKVSA-N
XLogP3.48
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid?
The IUPAC name of 4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid (CID 57031053) is 4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid.
What is the SMILES notation for 4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid?
The canonical SMILES for 4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid is C[C@H](Cc1cn(C(=O)O)cn1)NC(=O)C(CC(=O)N1CCCC1)Cc1cccc2ccccc12.
What is the InChIKey of 4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid?
The InChIKey is UTDJRBTZBZLJSW-ITUIMRKVSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-18(13-22-16-30(17-27-22)26(33)34)28-25(32)21(15-24(31)29-11-4-5-12-29)14-20-9-6-8-19-7-2-3-10-23(19)20/h2-3,6-10,16-18,21H,4-5,11-15H2,1H3,(H,28,32)(H,33,34)/t18-,21?/m1/s1.
What are the key properties of 4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid?
4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid has a molecular weight of 462.55 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propyl]imidazole-1-carboxylic acid is sourced from PubChem (CID 57031053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).