3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid

C20H19N3O5 — CID 4835709

IUPAC3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid
SMILESO=C(CCn1cnc2ccccc2c1=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C20H19N3O5/c24-14-7-5-13(6-8-14)11-17(20(27)28)22-18(25)9-10-23-12-21-16-4-2-1-3-15(16)19(23)26/h1-8,12,17,24H,9-11H2,(H,22,25)(H,27,28)
InChIKeyFWTVZZJPJUJOSL-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.30
Rot. Bonds7

About 3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid

3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid (PubChem CID 4835709) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid
PubChem CID4835709
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid
SMILESO=C(CCn1cnc2ccccc2c1=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C20H19N3O5/c24-14-7-5-13(6-8-14)11-17(20(27)28)22-18(25)9-10-23-12-21-16-4-2-1-3-15(16)19(23)26/h1-8,12,17,24H,9-11H2,(H,22,25)(H,27,28)
InChIKeyFWTVZZJPJUJOSL-UHFFFAOYSA-N
XLogP1.30
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 39723313
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52509917
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 108788723
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995599
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
2-(3-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 139026475
N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
CID 26122035
4-[[(1R)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid
CID 95290073
(2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]propanoic acid
CID 135625145

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid (CID 4835709) is 3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid is O=C(CCn1cnc2ccccc2c1=O)NC(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid?
The InChIKey is FWTVZZJPJUJOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c24-14-7-5-13(6-8-14)11-17(20(27)28)22-18(25)9-10-23-12-21-16-4-2-1-3-15(16)19(23)26/h1-8,12,17,24H,9-11H2,(H,22,25)(H,27,28).
What are the key properties of 3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid?
3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid has a molecular weight of 381.39 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 4835709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).