2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid

C17H23N3O5 — CID 120517125

IUPAC2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(C(=O)N(CC(=O)O)CC(C)C)cc1N1CCNC1=O
InChIInChI=1S/C17H23N3O5/c1-11(2)9-19(10-15(21)22)16(23)12-4-5-14(25-3)13(8-12)20-7-6-18-17(20)24/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,24)(H,21,22)
InChIKeyZXWFQYSKQHWQKX-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.41
Rot. Bonds7

About 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid

2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 120517125) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID120517125
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(C(=O)N(CC(=O)O)CC(C)C)cc1N1CCNC1=O
InChIInChI=1S/C17H23N3O5/c1-11(2)9-19(10-15(21)22)16(23)12-4-5-14(25-3)13(8-12)20-7-6-18-17(20)24/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,24)(H,21,22)
InChIKeyZXWFQYSKQHWQKX-UHFFFAOYSA-N
XLogP1.41
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid (CID 120517125) is 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid is COc1ccc(C(=O)N(CC(=O)O)CC(C)C)cc1N1CCNC1=O.
What is the InChIKey of 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is ZXWFQYSKQHWQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-11(2)9-19(10-15(21)22)16(23)12-4-5-14(25-3)13(8-12)20-7-6-18-17(20)24/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,24)(H,21,22).
What are the key properties of 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid?
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 349.39 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 120517125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).