2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride

C10H23BCl2N2O5 — CID 66833250

IUPAC2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride
SMILESCl.Cl.NC(CCCCB(O)O)(C(=O)O)C1CNCCO1
InChIInChI=1S/C10H21BN2O5.2ClH/c12-10(9(14)15,3-1-2-4-11(16)17)8-7-13-5-6-18-8;;/h8,13,16-17H,1-7,12H2,(H,14,15);2*1H
InChIKeyAPISFMBIXHPCHO-UHFFFAOYSA-N
MW333.02 g/mol
LogP-0.76
Rot. Bonds7

About 2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride

2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride (PubChem CID 66833250) has the molecular formula C10H23BCl2N2O5 and a molecular weight of 333.02 g/mol. Its IUPAC name is 2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride
PubChem CID66833250
Molecular FormulaC10H23BCl2N2O5
Molecular Weight333.02 g/mol
Exact Mass332.11
IUPAC Name2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride
SMILESCl.Cl.NC(CCCCB(O)O)(C(=O)O)C1CNCCO1
InChIInChI=1S/C10H21BN2O5.2ClH/c12-10(9(14)15,3-1-2-4-11(16)17)8-7-13-5-6-18-8;;/h8,13,16-17H,1-7,12H2,(H,14,15);2*1H
InChIKeyAPISFMBIXHPCHO-UHFFFAOYSA-N
XLogP-0.76
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 5-0.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-3-morpholin-2-ylbutan-2-amine
CID 146666879
2-amino-6-borono-2-[2-[methyl(propyl)amino]ethyl]hexanoic acid
CID 78110000
2-morpholin-2-ylpropan-2-ol
CID 83618264
(2R)-morpholine-2-carboxamide
CID 51600069
2-amino-6-borono-2-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]hexanoic acid;dihydrochloride
CID 66833018
2-morpholin-2-ylprop-2-enoic acid
CID 175579148
2-amino-6-borono-2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]hexanoic acid
CID 66833149
2-amino-6-borono-2-(2-thiomorpholin-4-ylethyl)hexanoic acid
CID 66832761
ethane;morpholine-2-carboxylic acid
CID 170608685
ethyl morpholine-2-carboxylate;dihydrochloride
CID 127258967
2-methylmorpholine;2,2,2-trifluoroacetic acid
CID 68841730
morpholin-2-yl hydrogen carbonate
CID 70064874

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride?
The IUPAC name of 2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride (CID 66833250) is 2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride is Cl.Cl.NC(CCCCB(O)O)(C(=O)O)C1CNCCO1.
What is the InChIKey of 2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride?
The InChIKey is APISFMBIXHPCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BN2O5.2ClH/c12-10(9(14)15,3-1-2-4-11(16)17)8-7-13-5-6-18-8;;/h8,13,16-17H,1-7,12H2,(H,14,15);2*1H.
What are the key properties of 2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride?
2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride has a molecular weight of 333.02 g/mol, XLogP of -0.76, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-borono-2-morpholin-2-ylhexanoic acid;dihydrochloride is sourced from PubChem (CID 66833250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).