1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid

C24H29N3O3 — CID 69316389

IUPAC1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)c1ccccc1N1CCN(c2ccc(CN3CC(C(=O)O)C3)cc2)C1=O
InChIInChI=1S/C24H29N3O3/c1-24(2,3)20-6-4-5-7-21(20)27-13-12-26(23(27)30)19-10-8-17(9-11-19)14-25-15-18(16-25)22(28)29/h4-11,18H,12-16H2,1-3H3,(H,28,29)
InChIKeyQNGZKMJBRWEOOE-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.95
Rot. Bonds5

About 1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid

1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 69316389) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID69316389
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)c1ccccc1N1CCN(c2ccc(CN3CC(C(=O)O)C3)cc2)C1=O
InChIInChI=1S/C24H29N3O3/c1-24(2,3)20-6-4-5-7-21(20)27-13-12-26(23(27)30)19-10-8-17(9-11-19)14-25-15-18(16-25)22(28)29/h4-11,18H,12-16H2,1-3H3,(H,28,29)
InChIKeyQNGZKMJBRWEOOE-UHFFFAOYSA-N
XLogP3.95
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid (CID 69316389) is 1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid is CC(C)(C)c1ccccc1N1CCN(c2ccc(CN3CC(C(=O)O)C3)cc2)C1=O.
What is the InChIKey of 1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is QNGZKMJBRWEOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-24(2,3)20-6-4-5-7-21(20)27-13-12-26(23(27)30)19-10-8-17(9-11-19)14-25-15-18(16-25)22(28)29/h4-11,18H,12-16H2,1-3H3,(H,28,29).
What are the key properties of 1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 407.51 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(2-tert-butylphenyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 69316389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).