(4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate

C13H27INO2- — CID 163508677

IUPAC(4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate
SMILESC[I-]C(C)CCC(=O)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C13H27INO2/c1-10(14-6)7-8-11(16)17-13(4,5)9-12(2,3)15/h10H,7-9,15H2,1-6H3/q-1
InChIKeyIZBWWTGCYKNSHF-UHFFFAOYSA-N
MW356.27 g/mol
LogP-0.68
Rot. Bonds7

About (4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate

(4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate (PubChem CID 163508677) has the molecular formula C13H27INO2- and a molecular weight of 356.27 g/mol. Its IUPAC name is (4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate.

Molecular Properties

Compound Name(4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate
PubChem CID163508677
Molecular FormulaC13H27INO2-
Molecular Weight356.27 g/mol
Exact Mass356.11
IUPAC Name(4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate
SMILESC[I-]C(C)CCC(=O)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C13H27INO2/c1-10(14-6)7-8-11(16)17-13(4,5)9-12(2,3)15/h10H,7-9,15H2,1-6H3/q-1
InChIKeyIZBWWTGCYKNSHF-UHFFFAOYSA-N
XLogP-0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate
CID 154979440
bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate
CID 154979439
(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate
CID 165041539
tert-butyl (4R)-4-aminopentanoate
CID 58781983
5-O-(2-methylbutan-2-yl) 1-O-propan-2-yl (2S)-2-methylpentanedioate
CID 155065000
tert-butyl 4-methylpentanoate
CID 14724205
(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 129171605
ditert-butyl (2R)-2-bromopentanedioate
CID 178130237
(2S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58818226
(1-amino-2-methylpropan-2-yl) 3-aminopropanoate
CID 142053345
(2S,3S)-2-amino-3-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
CID 54069607
2-methylbutan-2-yl 7-amino-7-methyloctanoate
CID 163421014

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate?
The IUPAC name of (4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate (CID 163508677) is (4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate.
What is the SMILES notation for (4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate?
The canonical SMILES for (4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate is C[I-]C(C)CCC(=O)OC(C)(C)CC(C)(C)N.
What is the InChIKey of (4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate?
The InChIKey is IZBWWTGCYKNSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27INO2/c1-10(14-6)7-8-11(16)17-13(4,5)9-12(2,3)15/h10H,7-9,15H2,1-6H3/q-1.
What are the key properties of (4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate?
(4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate has a molecular weight of 356.27 g/mol, XLogP of -0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,4-dimethylpentan-2-yl) 4-methyliodanuidylpentanoate is sourced from PubChem (CID 163508677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).