(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid

C18H15N3O4 — CID 6352554

IUPAC(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(Cn1cnc2ccccc2c1=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C18H15N3O4/c22-15(20-16(18(24)25)12-6-2-1-3-7-12)10-21-11-19-14-9-5-4-8-13(14)17(21)23/h1-9,11,16H,10H2,(H,20,22)(H,24,25)/t16-/m1/s1
InChIKeyVYYOIPZPLAKKCN-MRXNPFEDSA-N
MW337.34 g/mol
LogP1.34
Rot. Bonds5

About (2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid

(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid (PubChem CID 6352554) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is (2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
PubChem CID6352554
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(Cn1cnc2ccccc2c1=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C18H15N3O4/c22-15(20-16(18(24)25)12-6-2-1-3-7-12)10-21-11-19-14-9-5-4-8-13(14)17(21)23/h1-9,11,16H,10H2,(H,20,22)(H,24,25)/t16-/m1/s1
InChIKeyVYYOIPZPLAKKCN-MRXNPFEDSA-N
XLogP1.34
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium
CID 8936990
N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51202356
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9149228
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9297441
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437008
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid (CID 6352554) is (2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid is O=C(Cn1cnc2ccccc2c1=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is VYYOIPZPLAKKCN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-15(20-16(18(24)25)12-6-2-1-3-7-12)10-21-11-19-14-9-5-4-8-13(14)17(21)23/h1-9,11,16H,10H2,(H,20,22)(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid?
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 337.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 6352554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).