2-Dodecanoylamino-3-hydroxybutanoic acid

HCID 9879439
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Basic information

Standard SMILES
CCCCCCCCCCCC(=O)NC(C(=O)O)C(C)O
InChIKey
BHPUZXHJBNPVQQ-UHFFFAOYSA-N
Molecular formula
C16H31NO4
Average molar mass
301.42 g/mol
Monoisotopic mass
301.22530847

Names & identifiers

Preferred name
2-Dodecanoylamino-3-hydroxybutanoic acid
IUPAC
2-(dodecanoylamino)-3-hydroxybutanoic acid

Names & synonyms

2-Dodecanoylamino-3-hydroxybutanoic acidN-Lauroyl ThreonineSCHEMBL8886641BHPUZXHJBNPVQQ-UHFFFAOYSA-NDTXSID701353792AKOS014786026

Database identifiers

PubChem CID
9879439
DTXSID
DTXSID701353792

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
86.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
13
Heavy atoms
21

Related reactions

1 records
New reaction record

Compound notes

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