(2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid

C11H19N3O4 — CID 122233897

IUPAC(2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid
SMILESCC1(C)N(CCCC[C@@H](N)C(=O)O)C(=O)C=[N+]1[O-]
InChIInChI=1S/C11H19N3O4/c1-11(2)13(9(15)7-14(11)18)6-4-3-5-8(12)10(16)17/h7-8H,3-6,12H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyLIWPCSROWNMGNM-MRVPVSSYSA-N
MW257.29 g/mol
LogP-0.27
Rot. Bonds6

About (2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid

(2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid (PubChem CID 122233897) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid
PubChem CID122233897
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid
SMILESCC1(C)N(CCCC[C@@H](N)C(=O)O)C(=O)C=[N+]1[O-]
InChIInChI=1S/C11H19N3O4/c1-11(2)13(9(15)7-14(11)18)6-4-3-5-8(12)10(16)17/h7-8H,3-6,12H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyLIWPCSROWNMGNM-MRVPVSSYSA-N
XLogP-0.27
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
CID 131866140
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
CID 25205018
2,10,10-triaminodecanoic acid
CID 141091504
2-aminohexadecanoic acid;azane
CID 175267671
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid?
The IUPAC name of (2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid (CID 122233897) is (2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid.
What is the SMILES notation for (2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid?
The canonical SMILES for (2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid is CC1(C)N(CCCC[C@@H](N)C(=O)O)C(=O)C=[N+]1[O-].
What is the InChIKey of (2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid?
The InChIKey is LIWPCSROWNMGNM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(2)13(9(15)7-14(11)18)6-4-3-5-8(12)10(16)17/h7-8H,3-6,12H2,1-2H3,(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid?
(2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-(2,2-dimethyl-3-oxido-5-oxoimidazol-3-ium-1-yl)hexanoic acid is sourced from PubChem (CID 122233897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).