Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
BXOSYQSFTOLZST-UHFFFAOYSA-N- Molecular formula
- C17H23N5O4
- Average molar mass
- 361.4 g/mol
Names & identifiers
- Preferred name
- 4-((tert-Butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
- IUPAC
- 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
Names & synonyms
956460-96-14-((tert-Butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acidMFCD131778744-[(tert-butoxycarbonyl)amino]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid4-{[(tert-butoxy)carbonyl]amino}-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylic acid4-(tert-Butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid4-((tert-Butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylicacid4-(Boc-amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic Acid4-(Boc-amino)-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylic acidCapivasertib Impurity N1
Show more names
SCHEMBL390884SCHEMBL31374403BXOSYQSFTOLZST-UHFFFAOYSA-NAKOS025396014SB17713AS-48093SY295579DB-324790
Database identifiers
- PubChem CID
- 57750394
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 542
Related reactions
49 records
Compound notes
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