Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]cc(C4CC4)c23)CC1- InChIKey
TVCIDCFBFBRVSN-UHFFFAOYSA-N- Molecular formula
- C20H27N5O4
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- 4-(tert-butoxycarbonylamino)-1-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
- IUPAC
- 1-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
Names & synonyms
SCHEMBL391942TVCIDCFBFBRVSN-UHFFFAOYSA-NDB-1466631-(5-Cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-4-piperidinecarboxylic acid1143534-84-24-(tert-butoxycarbonylamino)-1-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
Database identifiers
- PubChem CID
- 57750346
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 639
Related reactions
3 records
Compound notes
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