2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid

C19H21N3O3 — CID 167930327

IUPAC2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1)C(=O)C1CCc2ncncc2C1
InChIInChI=1S/C19H21N3O3/c1-13(19(24)25)22(11-14-5-3-2-4-6-14)18(23)15-7-8-17-16(9-15)10-20-12-21-17/h2-6,10,12-13,15H,7-9,11H2,1H3,(H,24,25)
InChIKeyCMTSJIBGIMOUMB-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.08
Rot. Bonds5

About 2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid

2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid (PubChem CID 167930327) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid
PubChem CID167930327
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1)C(=O)C1CCc2ncncc2C1
InChIInChI=1S/C19H21N3O3/c1-13(19(24)25)22(11-14-5-3-2-4-6-14)18(23)15-7-8-17-16(9-15)10-20-12-21-17/h2-6,10,12-13,15H,7-9,11H2,1H3,(H,24,25)
InChIKeyCMTSJIBGIMOUMB-UHFFFAOYSA-N
XLogP2.08
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid (CID 167930327) is 2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid is CC(C(=O)O)N(Cc1ccccc1)C(=O)C1CCc2ncncc2C1.
What is the InChIKey of 2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid?
The InChIKey is CMTSJIBGIMOUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(19(24)25)22(11-14-5-3-2-4-6-14)18(23)15-7-8-17-16(9-15)10-20-12-21-17/h2-6,10,12-13,15H,7-9,11H2,1H3,(H,24,25).
What are the key properties of 2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid?
2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid has a molecular weight of 339.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 167930327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).