3-Pentylamino-phthalic acid dimethyl ester

HCID 21040131CAS 444287-96-1
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Basic information

Standard SMILES
CCCCCNc1cccc(C(=O)OC)c1C(=O)OC
InChIKey
AAXYWHUXZJBDEP-UHFFFAOYSA-N
Molecular formula
C15H21NO4
Average molar mass
279.33 g/mol
Monoisotopic mass
279.14705815

Names & identifiers

Preferred name
3-Pentylamino-phthalic acid dimethyl ester
IUPAC
dimethyl 3-(pentylamino)benzene-1,2-dicarboxylate

Names & synonyms

444287-96-13-Pentylamino-phthalic acid dimethyl esterSCHEMBL2382707AAXYWHUXZJBDEP-UHFFFAOYSA-NDTXSID401334325DB-091403dimethyl 3-(pentylamino)benzene-1,2-dicarboxylate

Database identifiers

CAS
444287-96-1
PubChem CID
21040131
DTXSID
DTXSID401334325

Properties

Computed structural properties

XLogP
4
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
20

Related reactions

34 records
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Linked notes

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