3-(Sec-butylcarbamoyl)acrylic acid

HCID 244595
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Basic information

Standard SMILES
CCC(C)NC(=O)C=CC(=O)O
InChIKey
VAAVFCMZCPYORB-UHFFFAOYSA-N
Molecular formula
C8H13NO3
Average molar mass
171.19 g/mol

Names & identifiers

Preferred name
3-(Sec-butylcarbamoyl)acrylic acid
IUPAC
4-(butan-2-ylamino)-4-oxobut-2-enoic acid

Names & synonyms

SCHEMBL3294577VAAVFCMZCPYORB-UHFFFAOYSA-N3-(sec butylcarbamoyl)acrylic acid3-(sec-butylcarbamoyl)acrylic acidDS-0130812-Butenoic acid,4-[(1-methylpropyl)amino]-4-oxo-, (2z)-

Database identifiers

PubChem CID
244595

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
12

Related reactions

7 records
New reaction record

Linked notes

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