3-[5-(1-t-Butoxyformamido)valeramido]-4-chlorobenzoic acid

HCID 53751622
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NCCCCC(=O)Nc1cc(C(=O)O)ccc1Cl
InChIKey
DBNRFTGMAWGIDE-UHFFFAOYSA-N
Molecular formula
C17H23ClN2O5
Average molar mass
370.8 g/mol

Names & identifiers

Preferred name
3-[5-(1-t-Butoxyformamido)valeramido]-4-chlorobenzoic acid
IUPAC
4-chloro-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]benzoic acid

Names & synonyms

SCHEMBL9865135DBNRFTGMAWGIDE-UHFFFAOYSA-N3-[5-(1-t-butoxyformamido)valeramido]-4-chlorobenzoic acid

Database identifiers

PubChem CID
53751622

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
105 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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