2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid

C11H10N2O5 — CID 170824720

IUPAC2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid
SMILESO=C(O)C(O)C(O)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C11H10N2O5/c14-8(9(15)11(17)18)5-1-2-7-6(3-5)10(16)13-4-12-7/h1-4,8-9,14-15H,(H,17,18)(H,12,13,16)
InChIKeyFSBIJRQOGSTTOZ-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.60
Rot. Bonds3

About 2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid

2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid (PubChem CID 170824720) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid
PubChem CID170824720
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid
SMILESO=C(O)C(O)C(O)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C11H10N2O5/c14-8(9(15)11(17)18)5-1-2-7-6(3-5)10(16)13-4-12-7/h1-4,8-9,14-15H,(H,17,18)(H,12,13,16)
InChIKeyFSBIJRQOGSTTOZ-UHFFFAOYSA-N
XLogP-0.60
TPSA123.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

7-(1,2-dihydroxy-3-sulfanylpropyl)-3H-quinazolin-4-one
CID 170820639
6-phenyl-3H-quinazolin-4-one
CID 135741302
6-(2-hydroxyacetyl)-3H-quinazolin-4-one
CID 158775272
tert-butyl N-[3-fluoro-2-[hydroxy-(4-oxo-3H-quinazolin-6-yl)methyl]prop-2-enyl]carbamate
CID 175408459
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one
CID 135800573
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
6-propan-2-ylsulfanyl-3H-quinazolin-4-one
CID 136641879
ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823466
2-(3H-benzimidazol-5-yl)-2-chloroacetic acid
CID 83533661

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid (CID 170824720) is 2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid is O=C(O)C(O)C(O)c1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid?
The InChIKey is FSBIJRQOGSTTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-8(9(15)11(17)18)5-1-2-7-6(3-5)10(16)13-4-12-7/h1-4,8-9,14-15H,(H,17,18)(H,12,13,16).
What are the key properties of 2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid?
2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid has a molecular weight of 250.21 g/mol, XLogP of -0.60, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(4-oxo-3H-quinazolin-6-yl)propanoic acid is sourced from PubChem (CID 170824720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).