2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid

C11H14N2O2 — CID 82396006

IUPAC2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid
SMILESCc1ncc2c(n1)CC(CC(=O)O)CC2
InChIInChI=1S/C11H14N2O2/c1-7-12-6-9-3-2-8(5-11(14)15)4-10(9)13-7/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyFWYOFXSQGSGYTI-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.36
Rot. Bonds2

About 2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid

2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid (PubChem CID 82396006) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid
PubChem CID82396006
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid
SMILESCc1ncc2c(n1)CC(CC(=O)O)CC2
InChIInChI=1S/C11H14N2O2/c1-7-12-6-9-3-2-8(5-11(14)15)4-10(9)13-7/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyFWYOFXSQGSGYTI-UHFFFAOYSA-N
XLogP1.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
CID 82410139
2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid
CID 82395345
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetic acid
CID 84667789
2-(3-methylidenecyclopentyl)acetic acid
CID 55303837
2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid
CID 83861952
2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 82384252
2-(2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetic acid
CID 84695210
3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid
CID 126630237
2-[8-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609128
2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid
CID 83864743
6-(carboxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22118655
2-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)acetic acid
CID 84722836

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid?
The IUPAC name of 2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid (CID 82396006) is 2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid is Cc1ncc2c(n1)CC(CC(=O)O)CC2.
What is the InChIKey of 2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid?
The InChIKey is FWYOFXSQGSGYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-12-6-9-3-2-8(5-11(14)15)4-10(9)13-7/h6,8H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid?
2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid has a molecular weight of 206.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5,6,7,8-tetrahydroquinazolin-7-yl)acetic acid is sourced from PubChem (CID 82396006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).