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

C16H19N3O5 — CID 119192243

IUPAC2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
InChIInChI=1S/C16H19N3O5/c1-3-8-16(2,14(22)23)18-12(20)9-19-13(21)10-6-4-5-7-11(10)17-15(19)24/h4-7H,3,8-9H2,1-2H3,(H,17,24)(H,18,20)(H,22,23)
InChIKeyGBCRRLXJQLAAQK-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.45
Rot. Bonds6

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

2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid (PubChem CID 119192243) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid
PubChem CID119192243
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)O
InChIInChI=1S/C16H19N3O5/c1-3-8-16(2,14(22)23)18-12(20)9-19-13(21)10-6-4-5-7-11(10)17-15(19)24/h4-7H,3,8-9H2,1-2H3,(H,17,24)(H,18,20)(H,22,23)
InChIKeyGBCRRLXJQLAAQK-UHFFFAOYSA-N
XLogP0.45
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic 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
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
2-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119192323
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
(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-(3-methylbutyl)acetamide
CID 4064970
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione
CID 47475418
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 91636848
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid (CID 119192243) is 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid?
The InChIKey is GBCRRLXJQLAAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-3-8-16(2,14(22)23)18-12(20)9-19-13(21)10-6-4-5-7-11(10)17-15(19)24/h4-7H,3,8-9H2,1-2H3,(H,17,24)(H,18,20)(H,22,23).
What are the key properties of 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid?
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid has a molecular weight of 333.34 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 119192243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).