3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid

C11H14N2O4 — CID 11368400

IUPAC3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid
SMILESO=C(O)CCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C11H14N2O4/c14-9(15)5-6-13-8-4-2-1-3-7(8)10(16)12-11(13)17/h1-6H2,(H,14,15)(H,12,16,17)
InChIKeyVCMLDHDNEUOYPL-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.11
Rot. Bonds3

About 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid

3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid (PubChem CID 11368400) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid
PubChem CID11368400
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid
SMILESO=C(O)CCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C11H14N2O4/c14-9(15)5-6-13-8-4-2-1-3-7(8)10(16)12-11(13)17/h1-6H2,(H,14,15)(H,12,16,17)
InChIKeyVCMLDHDNEUOYPL-UHFFFAOYSA-N
XLogP-0.11
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 12514470
6-(3-Methyl-2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)hexanoic acid
CID 19423332
1-Methyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 21822458
3-(2,4-dioxo-3,4,5,6,7,8-hexahydro-1(2H)-quinazolinyl)-propanecarboxylic acid
CID 21916435
Ethyl 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoate
CID 58720715
carbonic acid;3-propyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
CID 69961417
6-(3-Methyl-2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)hexanoic acid;hydrochloride
CID 70345270
1-Hexyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 89545637
1-Propyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 91114198
3-propyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
CID 69961418
3-(2,4-Dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide
CID 142140798

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid?
The IUPAC name of 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid (CID 11368400) is 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid?
The canonical SMILES for 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid is O=C(O)CCn1c2c(c(=O)[nH]c1=O)CCCC2.
What is the InChIKey of 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid?
The InChIKey is VCMLDHDNEUOYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-9(15)5-6-13-8-4-2-1-3-7(8)10(16)12-11(13)17/h1-6H2,(H,14,15)(H,12,16,17).
What are the key properties of 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid?
3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid is sourced from PubChem (CID 11368400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).