2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C11H13N3O3 — CID 81423902

IUPAC2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESNC(=O)Cc1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C11H13N3O3/c12-9(15)4-10-13-5-7-3-6(11(16)17)1-2-8(7)14-10/h5-6H,1-4H2,(H2,12,15)(H,16,17)
InChIKeyUXSBTJRDMWESNC-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.31
Rot. Bonds3

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

2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423902) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423902
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESNC(=O)Cc1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C11H13N3O3/c12-9(15)4-10-13-5-7-3-6(11(16)17)1-2-8(7)14-10/h5-6H,1-4H2,(H2,12,15)(H,16,17)
InChIKeyUXSBTJRDMWESNC-UHFFFAOYSA-N
XLogP-0.31
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423902) is 2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is NC(=O)Cc1ncc2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is UXSBTJRDMWESNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-9(15)4-10-13-5-7-3-6(11(16)17)1-2-8(7)14-10/h5-6H,1-4H2,(H2,12,15)(H,16,17).
What are the key properties of 2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).