2-methyl-2-(quinazolin-4-ylamino)propanoic acid

C12H13N3O2 — CID 61261745

IUPAC2-methyl-2-(quinazolin-4-ylamino)propanoic acid
SMILESCC(C)(Nc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C12H13N3O2/c1-12(2,11(16)17)15-10-8-5-3-4-6-9(8)13-7-14-10/h3-7H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyWGSOYEPKLJFZLA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.90
Rot. Bonds3

About 2-methyl-2-(quinazolin-4-ylamino)propanoic acid

2-methyl-2-(quinazolin-4-ylamino)propanoic acid (PubChem CID 61261745) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-methyl-2-(quinazolin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(quinazolin-4-ylamino)propanoic acid
PubChem CID61261745
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-methyl-2-(quinazolin-4-ylamino)propanoic acid
SMILESCC(C)(Nc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C12H13N3O2/c1-12(2,11(16)17)15-10-8-5-3-4-6-9(8)13-7-14-10/h3-7H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyWGSOYEPKLJFZLA-UHFFFAOYSA-N
XLogP1.90
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Aminoquinazoline
CID 84759
4-Anilinoquinazoline
CID 324081
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-methylquinazolin-4-amine
CID 252220
1-(4-Quinazolinyl)proline
CID 2792419
(Quinazolin-4-ylamino)acetic acid
CID 718838
N-(2-methoxyethyl)quinazolin-4-amine
CID 1563320
1-Phenyl-3-(quinazolin-4-yl)urea
CID 10563562
Ethyl 4-[(2-ethylphenyl)amino]quinazoline-2-carboxylate
CID 731974
Ethyl 4-(benzylamino)quinazoline-2-carboxylate
CID 731981
Diethyl[3-(quinazolin-4-ylamino)propyl]amine, chloride
CID 2789697
2-[(2-Phenylquinazolin-4-yl)amino]ethyl propionate
CID 16187957

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(quinazolin-4-ylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(quinazolin-4-ylamino)propanoic acid (CID 61261745) is 2-methyl-2-(quinazolin-4-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(quinazolin-4-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(quinazolin-4-ylamino)propanoic acid is CC(C)(Nc1ncnc2ccccc12)C(=O)O.
What is the InChIKey of 2-methyl-2-(quinazolin-4-ylamino)propanoic acid?
The InChIKey is WGSOYEPKLJFZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-12(2,11(16)17)15-10-8-5-3-4-6-9(8)13-7-14-10/h3-7H,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-methyl-2-(quinazolin-4-ylamino)propanoic acid?
2-methyl-2-(quinazolin-4-ylamino)propanoic acid has a molecular weight of 231.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(quinazolin-4-ylamino)propanoic acid is sourced from PubChem (CID 61261745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).