2-amino-6-bromo-4-(bromomethyl)hexanoic acid

C7H13Br2NO2 — CID 15946145

IUPAC2-amino-6-bromo-4-(bromomethyl)hexanoic acid
SMILESNC(CC(CBr)CCBr)C(=O)O
InChIInChI=1S/C7H13Br2NO2/c8-2-1-5(4-9)3-6(10)7(11)12/h5-6H,1-4,10H2,(H,11,12)
InChIKeyQDBGFCHRMNZWRU-UHFFFAOYSA-N
MW302.99 g/mol
LogP1.58
Rot. Bonds6

About 2-amino-6-bromo-4-(bromomethyl)hexanoic acid

2-amino-6-bromo-4-(bromomethyl)hexanoic acid (PubChem CID 15946145) has the molecular formula C7H13Br2NO2 and a molecular weight of 302.99 g/mol. Its IUPAC name is 2-amino-6-bromo-4-(bromomethyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-bromo-4-(bromomethyl)hexanoic acid
PubChem CID15946145
Molecular FormulaC7H13Br2NO2
Molecular Weight302.99 g/mol
Exact Mass300.93
IUPAC Name2-amino-6-bromo-4-(bromomethyl)hexanoic acid
SMILESNC(CC(CBr)CCBr)C(=O)O
InChIInChI=1S/C7H13Br2NO2/c8-2-1-5(4-9)3-6(10)7(11)12/h5-6H,1-4,10H2,(H,11,12)
InChIKeyQDBGFCHRMNZWRU-UHFFFAOYSA-N
XLogP1.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.99
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-triaminoheptanedioic acid
CID 71362819
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-4-hydroxypentanoic acid;ethane
CID 143364485
2-amino-4-ethyl-7-hydroxyheptanoic acid
CID 123400393
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid
CID 10240856
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S)-2-amino-4-(2-bromoacetyl)oxybutanoic acid
CID 87990253
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diamino-4-ethyl-6-oxohexanoic acid
CID 87815600
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-(bromomethyl)hexanoic acid?
The IUPAC name of 2-amino-6-bromo-4-(bromomethyl)hexanoic acid (CID 15946145) is 2-amino-6-bromo-4-(bromomethyl)hexanoic acid.
What is the SMILES notation for 2-amino-6-bromo-4-(bromomethyl)hexanoic acid?
The canonical SMILES for 2-amino-6-bromo-4-(bromomethyl)hexanoic acid is NC(CC(CBr)CCBr)C(=O)O.
What is the InChIKey of 2-amino-6-bromo-4-(bromomethyl)hexanoic acid?
The InChIKey is QDBGFCHRMNZWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br2NO2/c8-2-1-5(4-9)3-6(10)7(11)12/h5-6H,1-4,10H2,(H,11,12).
What are the key properties of 2-amino-6-bromo-4-(bromomethyl)hexanoic acid?
2-amino-6-bromo-4-(bromomethyl)hexanoic acid has a molecular weight of 302.99 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-4-(bromomethyl)hexanoic acid is sourced from PubChem (CID 15946145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).