Methyl 2,6-diaminohexanoate

HCID 102467CAS 687-64-9

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Basic information

Standard SMILES: COC(=O)C(N)CCCCN
InChIKey: KPNBUPJZFJCCIQ-UHFFFAOYSA-N
Molecular formula: C7H16N2O2
Average molar mass: 160.21 g/mol
Monoisotopic mass: 160.12117776

Names & identifiers

Preferred name: Methyl 2,6-diaminohexanoate
IUPAC: methyl 2,6-diaminohexanoate

Names & synonyms

methyl 2,6-diaminohexanoateDL-Lysine methyl ester44977-95-9Lysine, methyl ester, dihydrochlorideH-Lys-OMeMethyl DL-lysinateNCIOpen2_004669SCHEMBL541484DTXSID60988395KPNBUPJZFJCCIQ-UHFFFAOYSA-NALBB-025032AKOS006229278

Show more names

2,6-diamino-hexanoic acid methyl esterNCGC00246348-01NS00079722ST45025960EN300-317900AB00698451-06

Database identifiers

CAS: 687-64-9
PubChem CID: 102467
DTXSID: DTXSID60988395
Nikkaji: J1.341.891H

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 78.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 117

Related reactions

2 records

New reaction record

HRID 190173As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 817831As reactantTest data from https://doi.org/10.1039/C8SC04228D

Linked notes

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