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

C14H15N3O5 — CID 119221288

IUPAC3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H15N3O5/c1-8(6-12(19)20)15-11(18)7-17-13(21)9-4-2-3-5-10(9)16-14(17)22/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,22)(H,19,20)
InChIKeyILLJIUGTYNPDTK-UHFFFAOYSA-N
MW305.29 g/mol
LogP-0.33
Rot. Bonds5

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

3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid (PubChem CID 119221288) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
PubChem CID119221288
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H15N3O5/c1-8(6-12(19)20)15-11(18)7-17-13(21)9-4-2-3-5-10(9)16-14(17)22/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,22)(H,19,20)
InChIKeyILLJIUGTYNPDTK-UHFFFAOYSA-N
XLogP-0.33
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
CID 7692705
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 91636848
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119587739
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 162909342
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51393472
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42955940
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid
CID 119192243
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]acetamide
CID 175683951
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid (CID 119221288) is 3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid?
The InChIKey is ILLJIUGTYNPDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-8(6-12(19)20)15-11(18)7-17-13(21)9-4-2-3-5-10(9)16-14(17)22/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,22)(H,19,20).
What are the key properties of 3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid?
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid has a molecular weight of 305.29 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119221288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).