2,6-diaminohexanoic acid;2-methylprop-2-enoic acid

C10H20N2O4 — CID 118275559

IUPAC2,6-diaminohexanoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.NCCCCC(N)C(=O)O
InChIInChI=1S/C6H14N2O2.C4H6O2/c7-4-2-1-3-5(8)6(9)10;1-3(2)4(5)6/h5H,1-4,7-8H2,(H,9,10);1H2,2H3,(H,5,6)
InChIKeyACAGLBXURKSTRD-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.17
Rot. Bonds6

About 2,6-diaminohexanoic acid;2-methylprop-2-enoic acid

2,6-diaminohexanoic acid;2-methylprop-2-enoic acid (PubChem CID 118275559) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2,6-diaminohexanoic acid;2-methylprop-2-enoic acid
PubChem CID118275559
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2,6-diaminohexanoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.NCCCCC(N)C(=O)O
InChIInChI=1S/C6H14N2O2.C4H6O2/c7-4-2-1-3-5(8)6(9)10;1-3(2)4(5)6/h5H,1-4,7-8H2,(H,9,10);1H2,2H3,(H,5,6)
InChIKeyACAGLBXURKSTRD-UHFFFAOYSA-N
XLogP0.17
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;bis(2,6-diaminohexanoic acid);hydrochloride
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2,6-diaminohexanoic acid;titanium
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2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
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tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
CID 158432126
CID 158432126
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
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Frequently Asked Questions

What is the IUPAC name of 2,6-diaminohexanoic acid;2-methylprop-2-enoic acid?
The IUPAC name of 2,6-diaminohexanoic acid;2-methylprop-2-enoic acid (CID 118275559) is 2,6-diaminohexanoic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for 2,6-diaminohexanoic acid;2-methylprop-2-enoic acid?
The canonical SMILES for 2,6-diaminohexanoic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.NCCCCC(N)C(=O)O.
What is the InChIKey of 2,6-diaminohexanoic acid;2-methylprop-2-enoic acid?
The InChIKey is ACAGLBXURKSTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C4H6O2/c7-4-2-1-3-5(8)6(9)10;1-3(2)4(5)6/h5H,1-4,7-8H2,(H,9,10);1H2,2H3,(H,5,6).
What are the key properties of 2,6-diaminohexanoic acid;2-methylprop-2-enoic acid?
2,6-diaminohexanoic acid;2-methylprop-2-enoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexanoic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 118275559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).