2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C9H11N3O2 — CID 81423276

IUPAC2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESNc1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C9H11N3O2/c10-9-11-4-6-3-5(8(13)14)1-2-7(6)12-9/h4-5H,1-3H2,(H,13,14)(H2,10,11,12)
InChIKeyRRIUEYSRNRECET-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.25
Rot. Bonds1

About 2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423276) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423276
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESNc1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C9H11N3O2/c10-9-11-4-6-3-5(8(13)14)1-2-7(6)12-9/h4-5H,1-3H2,(H,13,14)(H2,10,11,12)
InChIKeyRRIUEYSRNRECET-UHFFFAOYSA-N
XLogP0.25
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423276) is 2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is Nc1ncc2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is RRIUEYSRNRECET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-9-11-4-6-3-5(8(13)14)1-2-7(6)12-9/h4-5H,1-3H2,(H,13,14)(H2,10,11,12).
What are the key properties of 2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).