4-(tert-butoxycarbonylamino)-1-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

HCID 57750346

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

Related reactions

3 records

Compound notes

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