6-allyl-3-benzyloxycarbonylamino-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

HCID 21979697
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Basic information

Standard SMILES
C=CCC1(C(=O)O)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21
InChIKey
KEDYUHNNRFIHJU-UHFFFAOYSA-N
Molecular formula
C19H19N3O5
Average molar mass
369.4 g/mol

Names & identifiers

Preferred name
6-allyl-3-benzyloxycarbonylamino-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid
IUPAC
4-oxo-3-(phenylmethoxycarbonylamino)-6-prop-2-enyl-7,8-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid

Names & synonyms

SCHEMBL5902625KEDYUHNNRFIHJU-UHFFFAOYSA-N6-allyl-3-benzyloxycarbonylamino-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

Database identifiers

PubChem CID
21979697

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
27

Related reactions

4 records
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Compound notes

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