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2-(5-Chlorothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid

HCID 66617848
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)N(CC(C(=O)O)c1ccc(Cl)s1)C(=O)OC(C)(C)C
InChIKey
UGBVYNOKPHVWIT-UHFFFAOYSA-N
Molecular formula
C15H22ClNO4S
Average molar mass
347.9 g/mol

Names & identifiers

Preferred name
2-(5-Chlorothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid
IUPAC
2-(5-chlorothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid

Names & synonyms

SCHEMBL190908

Database identifiers

PubChem CID
66617848

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
95.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
22
Formal charge
0
Complexity
411

Related reactions

1 records
New reaction record
HRID 1234091 reaction equation
HRID 1234091As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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