Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
UAGMPIMZTVJAAT-UHFFFAOYSA-N- Molecular formula
- C18H25N5O4
- Average molar mass
- 375.4 g/mol
Names & identifiers
- Preferred name
- 4-((tert-butoxycarbonylamino)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
- IUPAC
- 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
Names & synonyms
4-((tert-butoxycarbonylamino)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid1035346-41-8SCHEMBL392872UAGMPIMZTVJAAT-UHFFFAOYSA-NDB-3395684-((tert-butoxycarbonyl-amino)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid4-((tert-butoxycarbonylamino)-methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
Database identifiers
- PubChem CID
- 44604221
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 556
Related reactions
7 records
Compound notes
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