(2R)-2-azido-6-bromohexanoic acid

C6H10BrN3O2 — CID 11064392

IUPAC(2R)-2-azido-6-bromohexanoic acid
SMILES[N-]=[N+]=N[C@H](CCCCBr)C(=O)O
InChIInChI=1S/C6H10BrN3O2/c7-4-2-1-3-5(6(11)12)9-10-8/h5H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyTVQGMSQJJZALLB-RXMQYKEDSA-N
MW236.07 g/mol
LogP2.32
Rot. Bonds6

About (2R)-2-azido-6-bromohexanoic acid

(2R)-2-azido-6-bromohexanoic acid (PubChem CID 11064392) has the molecular formula C6H10BrN3O2 and a molecular weight of 236.07 g/mol. Its IUPAC name is (2R)-2-azido-6-bromohexanoic acid.

Molecular Properties

Compound Name(2R)-2-azido-6-bromohexanoic acid
PubChem CID11064392
Molecular FormulaC6H10BrN3O2
Molecular Weight236.07 g/mol
Exact Mass235.00
IUPAC Name(2R)-2-azido-6-bromohexanoic acid
SMILES[N-]=[N+]=N[C@H](CCCCBr)C(=O)O
InChIInChI=1S/C6H10BrN3O2/c7-4-2-1-3-5(6(11)12)9-10-8/h5H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyTVQGMSQJJZALLB-RXMQYKEDSA-N
XLogP2.32
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-azido-7-bromoheptanoic acid
CID 11010362
(2S)-2-azidoheptanoic acid
CID 122577491
(2S)-2,6-diazidohexanoic acid
CID 101430733
2-azido-7-ethoxy-7-oxoheptanoic acid
CID 139368374
2-azido-3-hydroxypropanoic acid
CID 54415353
(2S)-3-amino-2-azidopropanoic acid
CID 11579126
(5-azido-7-bromo-6-oxoheptyl)carbamic acid
CID 90150505
2-azidopent-4-enoic acid
CID 77132005
(2R)-2-azido-4-diethoxyphosphorylbutanoic acid
CID 101406077
2-azido-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
CID 139702305
(Z,2R,7R)-7-amino-2-azido-8-hydroxyoct-5-enoic acid
CID 10822509
methyl 2-azidohexanoate
CID 22742063

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azido-6-bromohexanoic acid?
The IUPAC name of (2R)-2-azido-6-bromohexanoic acid (CID 11064392) is (2R)-2-azido-6-bromohexanoic acid.
What is the SMILES notation for (2R)-2-azido-6-bromohexanoic acid?
The canonical SMILES for (2R)-2-azido-6-bromohexanoic acid is [N-]=[N+]=N[C@H](CCCCBr)C(=O)O.
What is the InChIKey of (2R)-2-azido-6-bromohexanoic acid?
The InChIKey is TVQGMSQJJZALLB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10BrN3O2/c7-4-2-1-3-5(6(11)12)9-10-8/h5H,1-4H2,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-2-azido-6-bromohexanoic acid?
(2R)-2-azido-6-bromohexanoic acid has a molecular weight of 236.07 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azido-6-bromohexanoic acid is sourced from PubChem (CID 11064392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).