iodomethyl 2-amino-2-methylhexanoate

C8H16INO2 — CID 155453624

IUPACiodomethyl 2-amino-2-methylhexanoate
SMILESCCCCC(C)(N)C(=O)OCI
InChIInChI=1S/C8H16INO2/c1-3-4-5-8(2,10)7(11)12-6-9/h3-6,10H2,1-2H3
InChIKeyWSZSRSRMOAPNBX-UHFFFAOYSA-N
MW285.12 g/mol
LogP1.83
Rot. Bonds5

About iodomethyl 2-amino-2-methylhexanoate

iodomethyl 2-amino-2-methylhexanoate (PubChem CID 155453624) has the molecular formula C8H16INO2 and a molecular weight of 285.12 g/mol. Its IUPAC name is iodomethyl 2-amino-2-methylhexanoate.

Molecular Properties

Compound Nameiodomethyl 2-amino-2-methylhexanoate
PubChem CID155453624
Molecular FormulaC8H16INO2
Molecular Weight285.12 g/mol
Exact Mass285.02
IUPAC Nameiodomethyl 2-amino-2-methylhexanoate
SMILESCCCCC(C)(N)C(=O)OCI
InChIInChI=1S/C8H16INO2/c1-3-4-5-8(2,10)7(11)12-6-9/h3-6,10H2,1-2H3
InChIKeyWSZSRSRMOAPNBX-UHFFFAOYSA-N
XLogP1.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 51.83
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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Related Compounds

methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
4-amino-4-methyloctan-3-one
CID 158308473
iodomethyl 2,2-dimethylbutanoate
CID 14459667
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
3-aminopropyl 2,2-dimethylhexanoate
CID 130456484
chloromethyl 2,2-dimethylhexanoate
CID 87893162
butyl 2-amino-3-hydroxy-2-methylpropanoate
CID 91407475
2-amino-2-methyltetradecanamide
CID 175155192
2-hydroxyethyl 2,2-dimethylhexanoate
CID 59773865
ethyl (2S)-2-acetyl-2-methylhexanoate
CID 10679537

Frequently Asked Questions

What is the IUPAC name of iodomethyl 2-amino-2-methylhexanoate?
The IUPAC name of iodomethyl 2-amino-2-methylhexanoate (CID 155453624) is iodomethyl 2-amino-2-methylhexanoate.
What is the SMILES notation for iodomethyl 2-amino-2-methylhexanoate?
The canonical SMILES for iodomethyl 2-amino-2-methylhexanoate is CCCCC(C)(N)C(=O)OCI.
What is the InChIKey of iodomethyl 2-amino-2-methylhexanoate?
The InChIKey is WSZSRSRMOAPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO2/c1-3-4-5-8(2,10)7(11)12-6-9/h3-6,10H2,1-2H3.
What are the key properties of iodomethyl 2-amino-2-methylhexanoate?
iodomethyl 2-amino-2-methylhexanoate has a molecular weight of 285.12 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl 2-amino-2-methylhexanoate is sourced from PubChem (CID 155453624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).