54554-63-1
Basic information
- CAS
54554-63-1- Standard SMILES
CC1CCCc2ncc(CC(=O)O)c(=O)n21- InChIKey
QNQLQKRDBLQOEZ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- 54554-63-1
- IUPAC
- 2-(6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetic acid
- English name
- 6,7,8,9-Tetrahydro-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-acetic acid
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24
Names & synonyms
54554-63-16,7,8,9-Tetrahydro-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-acetic acid6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC ACID6,7,8,9-Tetrahydro-6-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidine-3-acetic acidRefChem:3050683-Carboxymethyl-6-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-oneSCHEMBL11105201QNQLQKRDBLQOEZ-UHFFFAOYSA-NDTXSID4011462814H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-6-methyl-4-oxo-DB-306917(6-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-3-yl)acetic acid
Show more names
6-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-acetic acid
(6-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-3-yl)acetic acid #
Database identifiers
- CAS
54554-63-1- PubChem CID
- 601333
- DTXSID
DTXSID401146281- Nikkaji
- J45.354D
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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