Basic information
- CAS
14683-83-1- Standard SMILES
CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1- InChIKey
POZRJDDKFDDOQR-AWEZNQCLSA-N- Molecular formula
- C21H24N8O5
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.1869659
Names & identifiers
- Preferred name
- 10-Ethylaminopterin
- IUPAC
- (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid
Names & synonyms
10-Ethylaminopterin14683-83-1L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)ethylamino)benzoyl)-RefChem:77490EthylaminopterinN10-EthylaminopterinNSC 107133SCHEMBL1073086CHEMBL3246868
Database identifiers
- CAS
14683-83-1- PubChem CID
- 97227
- ChEMBL
CHEMBL3246868- Nikkaji
- J419.869G
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 719
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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