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

HCID 44604221

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

Related reactions

7 records

Compound notes

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