(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid

C11H10N2O3 — CID 771110

IUPAC(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1cnc2ccccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)/t7-/m0/s1
InChIKeyAOIOGRLXASIYJK-ZETCQYMHSA-N
MW218.21 g/mol
LogP1.04
Rot. Bonds2

About (2S)-2-(4-oxoquinazolin-3-yl)propanoic acid

(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid (PubChem CID 771110) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-2-(4-oxoquinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
PubChem CID771110
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1cnc2ccccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)/t7-/m0/s1
InChIKeyAOIOGRLXASIYJK-ZETCQYMHSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid
CID 6851451
tert-butyl (2S)-2-(4-oxoquinazolin-3-yl)propanoate;triphenylphosphane
CID 158844470
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019
3-methyl-2-[[4-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]butanoic acid
CID 4835127
(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 126431279
6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one
CID 51056181
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenylpropanoic acid
CID 4835706
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-oxoquinazolin-3-yl)propanoic acid?
The IUPAC name of (2S)-2-(4-oxoquinazolin-3-yl)propanoic acid (CID 771110) is (2S)-2-(4-oxoquinazolin-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(4-oxoquinazolin-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-(4-oxoquinazolin-3-yl)propanoic acid is C[C@@H](C(=O)O)n1cnc2ccccc2c1=O.
What is the InChIKey of (2S)-2-(4-oxoquinazolin-3-yl)propanoic acid?
The InChIKey is AOIOGRLXASIYJK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-(4-oxoquinazolin-3-yl)propanoic acid?
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid has a molecular weight of 218.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-oxoquinazolin-3-yl)propanoic acid is sourced from PubChem (CID 771110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).