1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid

C19H23N3O6 — CID 120700089

IUPAC1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)(C(=O)O)C1(C)C
InChIInChI=1S/C19H23N3O6/c1-4-28-13-9-19(16(25)26,18(13,2)3)21-14(23)10-22-15(24)11-7-5-6-8-12(11)20-17(22)27/h5-8,13H,4,9-10H2,1-3H3,(H,20,27)(H,21,23)(H,25,26)
InChIKeySNDRAURZAOYBDD-UHFFFAOYSA-N
MW389.41 g/mol
LogP0.46
Rot. Bonds6

About 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid

1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 120700089) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID120700089
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)(C(=O)O)C1(C)C
InChIInChI=1S/C19H23N3O6/c1-4-28-13-9-19(16(25)26,18(13,2)3)21-14(23)10-22-15(24)11-7-5-6-8-12(11)20-17(22)27/h5-8,13H,4,9-10H2,1-3H3,(H,20,27)(H,21,23)(H,25,26)
InChIKeySNDRAURZAOYBDD-UHFFFAOYSA-N
XLogP0.46
TPSA130.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid with MolForge

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119570994
3-ethoxy-2,2-dimethyl-1-[(2-methylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 120700341
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
cis-(1S,3R)-3-ethoxy-1-(furan-2-carbonylamino)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 129402546
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide
CID 120599144
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
CID 7692705
cis-(1S,3R)-3-ethoxy-1-(1H-indole-5-carbonylamino)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 129402592
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid
CID 119192243
3-ethoxy-1-(1H-indole-5-carbonylamino)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699975
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid (CID 120700089) is 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid is CCOC1CC(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)(C(=O)O)C1(C)C.
What is the InChIKey of 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is SNDRAURZAOYBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-4-28-13-9-19(16(25)26,18(13,2)3)21-14(23)10-22-15(24)11-7-5-6-8-12(11)20-17(22)27/h5-8,13H,4,9-10H2,1-3H3,(H,20,27)(H,21,23)(H,25,26).
What are the key properties of 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 389.41 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 120700089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).