2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid

C10H17NO4 — CID 123260181

IUPAC2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid
SMILESC=C(C)C(=O)OCCCCC(N)C(=O)O
InChIInChI=1S/C10H17NO4/c1-7(2)10(14)15-6-4-3-5-8(11)9(12)13/h8H,1,3-6,11H2,2H3,(H,12,13)
InChIKeyGQWWDLFCFXTZQZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.69
Rot. Bonds7

About 2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid

2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid (PubChem CID 123260181) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid
PubChem CID123260181
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid
SMILESC=C(C)C(=O)OCCCCC(N)C(=O)O
InChIInChI=1S/C10H17NO4/c1-7(2)10(14)15-6-4-3-5-8(11)9(12)13/h8H,1,3-6,11H2,2H3,(H,12,13)
InChIKeyGQWWDLFCFXTZQZ-UHFFFAOYSA-N
XLogP0.69
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
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

2-[10-(2-methylprop-2-enoyloxy)decyl]propanedioic acid
CID 14453192
2-acetyl-5-(2-methylprop-2-enoyloxy)pentanoic acid
CID 174833917
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175
[9-hydroxy-8-(hydroxymethyl)nonyl] 2-methylprop-2-enoate
CID 23046622
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
2,6-diaminohexanoic acid;2-methylprop-2-enoic acid
CID 118275559
[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 155725182

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid?
The IUPAC name of 2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid (CID 123260181) is 2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid.
What is the SMILES notation for 2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid?
The canonical SMILES for 2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid is C=C(C)C(=O)OCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid?
The InChIKey is GQWWDLFCFXTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)10(14)15-6-4-3-5-8(11)9(12)13/h8H,1,3-6,11H2,2H3,(H,12,13).
What are the key properties of 2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid?
2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid is sourced from PubChem (CID 123260181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).