bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper

C18H36CuN4O8 — CID 4305518

IUPACbis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
SMILESCCOC(=O)NCCCCC(N)C(=O)O.CCOC(=O)NCCCCC(N)C(=O)O.[Cu]
InChIInChI=1S/2C9H18N2O4.Cu/c2*1-2-15-9(14)11-6-4-3-5-7(10)8(12)13;/h2*7H,2-6,10H2,1H3,(H,11,14)(H,12,13);
InChIKeyYBUNDKBQNQCRHC-UHFFFAOYSA-N
MW500.05 g/mol
LogP0.63
Rot. Bonds14

About bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper

bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper (PubChem CID 4305518) has the molecular formula C18H36CuN4O8 and a molecular weight of 500.05 g/mol. Its IUPAC name is bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper.

Molecular Properties

Compound Namebis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
PubChem CID4305518
Molecular FormulaC18H36CuN4O8
Molecular Weight500.05 g/mol
Exact Mass499.18
IUPAC Namebis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
SMILESCCOC(=O)NCCCCC(N)C(=O)O.CCOC(=O)NCCCCC(N)C(=O)O.[Cu]
InChIInChI=1S/2C9H18N2O4.Cu/c2*1-2-15-9(14)11-6-4-3-5-7(10)8(12)13;/h2*7H,2-6,10H2,1H3,(H,11,14)(H,12,13);
InChIKeyYBUNDKBQNQCRHC-UHFFFAOYSA-N
XLogP0.63
TPSA203.30 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.05
LogP ≤ 50.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid
CID 87110620
2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
CID 87631740
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid
CID 90090745
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S)-2-amino-6-[[(1R,2S,3R)-2-butyl-3-propylcyclopropyl]methoxycarbonylamino]hexanoic acid
CID 170291984
(2S)-2-amino-6-[(2-methylphenyl)methoxycarbonylamino]hexanoic acid
CID 122607486
2-amino-6-(2-propylpentanoylamino)hexanoic acid
CID 164728968

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper?
The IUPAC name of bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper (CID 4305518) is bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper.
What is the SMILES notation for bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper?
The canonical SMILES for bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper is CCOC(=O)NCCCCC(N)C(=O)O.CCOC(=O)NCCCCC(N)C(=O)O.[Cu].
What is the InChIKey of bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper?
The InChIKey is YBUNDKBQNQCRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2O4.Cu/c2*1-2-15-9(14)11-6-4-3-5-7(10)8(12)13;/h2*7H,2-6,10H2,1H3,(H,11,14)(H,12,13);.
What are the key properties of bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper?
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper has a molecular weight of 500.05 g/mol, XLogP of 0.63, 14 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper is sourced from PubChem (CID 4305518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).