2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid

C12H13N3O2 — CID 122052121

IUPAC2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid
SMILESCc1cccc2ncnc(N(C)CC(=O)O)c12
InChIInChI=1S/C12H13N3O2/c1-8-4-3-5-9-11(8)12(14-7-13-9)15(2)6-10(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyWBCPMPMYXPWXKD-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.46
Rot. Bonds3

About 2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid

2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid (PubChem CID 122052121) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid
PubChem CID122052121
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid
SMILESCc1cccc2ncnc(N(C)CC(=O)O)c12
InChIInChI=1S/C12H13N3O2/c1-8-4-3-5-9-11(8)12(14-7-13-9)15(2)6-10(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyWBCPMPMYXPWXKD-UHFFFAOYSA-N
XLogP1.46
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid (CID 122052121) is 2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid is Cc1cccc2ncnc(N(C)CC(=O)O)c12.
What is the InChIKey of 2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid?
The InChIKey is WBCPMPMYXPWXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-4-3-5-9-11(8)12(14-7-13-9)15(2)6-10(16)17/h3-5,7H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid?
2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid has a molecular weight of 231.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methylquinazolin-4-yl)amino]acetic acid is sourced from PubChem (CID 122052121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).