2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid

C11H22N2O4 — CID 19969154

IUPAC2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
SMILESCC(C)(C)OC(=O)C(N)(CCCCN)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,3)17-9(16)11(13,8(14)15)6-4-5-7-12/h4-7,12-13H2,1-3H3,(H,14,15)
InChIKeyUJAXSMBQBPJDHB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.24
Rot. Bonds6

About 2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid

2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid (PubChem CID 19969154) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid.

Molecular Properties

Compound Name2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
PubChem CID19969154
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
SMILESCC(C)(C)OC(=O)C(N)(CCCCN)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,3)17-9(16)11(13,8(14)15)6-4-5-7-12/h4-7,12-13H2,1-3H3,(H,14,15)
InChIKeyUJAXSMBQBPJDHB-UHFFFAOYSA-N
XLogP0.24
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,7-diamino-2,7-bis[(2-methylpropan-2-yl)oxycarbonyl]octanedioic acid
CID 154136395
(2S)-2,6-diamino-2-(1-deuterio-2-methylpropan-2-yl)oxycarbonylhexanoic acid
CID 141461632
ditert-butyl 2-amino-2-(9-aminononyl)propanedioate
CID 91092434
2-amino-7-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxoheptanoic acid
CID 174781753
2-amino-5,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 151039788
ditert-butyl 2-amino-2-[3-[6-(4-aminobutylamino)hexylamino]propyl]propanedioate
CID 19360445
2,6-diamino-2-prop-2-ynoxycarbonylhexanoic acid
CID 177255023
tert-butyl (2S)-2,5-diamino-2-methylpentanoate
CID 54077962
(2R)-2-amino-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 123944399
(2R)-2-acetyl-2,6-diaminohexanoic acid
CID 22853479
calcium;2-amino-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid;hydride;hydrate
CID 175275826
2,6-diamino-2-methylhexanoic acid
CID 3017540

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid?
The IUPAC name of 2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid (CID 19969154) is 2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid.
What is the SMILES notation for 2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid?
The canonical SMILES for 2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid is CC(C)(C)OC(=O)C(N)(CCCCN)C(=O)O.
What is the InChIKey of 2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid?
The InChIKey is UJAXSMBQBPJDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-10(2,3)17-9(16)11(13,8(14)15)6-4-5-7-12/h4-7,12-13H2,1-3H3,(H,14,15).
What are the key properties of 2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid?
2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid is sourced from PubChem (CID 19969154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).