N2-Benzyl-DL-asparagine

HCID 3594872CAS 5330-39-2
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Basic information

Standard SMILES
NC(=O)CC(NCc1ccccc1)C(=O)O
InChIKey
IYPFHQCBXITDFG-UHFFFAOYSA-N
Molecular formula
C11H14N2O3
Average molar mass
222.24 g/mol
Monoisotopic mass
222.10044231

Names & identifiers

Preferred name
N2-Benzyl-DL-asparagine
IUPAC
4-amino-2-(benzylamino)-4-oxobutanoic acid

Names & synonyms

5330-39-2NSC 2469N2-BENZYL-DL-ASPARAGINEN~2~-Benzylasparagine(S)-4-Amino-2-(benzylamino)-4-oxobutanoic acidDTXSID60393980NSC2469L-Asparagine, N-(phenylmethyl)-NSC-2469

Database identifiers

CAS
5330-39-2
PubChem CID
3594872
DTXSID
DTXSID60393980

Properties

Computed structural properties

XLogP
-2.5
Topological polar surface area
92.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
16

Related reactions

2 records
New reaction record

Linked notes

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