[(2R)-2-azido-2-cyclohexylethyl]carbamic acid

C9H16N4O2 — CID 135348107

IUPAC[(2R)-2-azido-2-cyclohexylethyl]carbamic acid
SMILES[N-]=[N+]=N[C@@H](CNC(=O)O)C1CCCCC1
InChIInChI=1S/C9H16N4O2/c10-13-12-8(6-11-9(14)15)7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,14,15)/t8-/m0/s1
InChIKeyJBZAZTTVLUIIJQ-QMMMGPOBSA-N
MW212.25 g/mol
LogP2.51
Rot. Bonds4

About [(2R)-2-azido-2-cyclohexylethyl]carbamic acid

[(2R)-2-azido-2-cyclohexylethyl]carbamic acid (PubChem CID 135348107) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is [(2R)-2-azido-2-cyclohexylethyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-azido-2-cyclohexylethyl]carbamic acid
PubChem CID135348107
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name[(2R)-2-azido-2-cyclohexylethyl]carbamic acid
SMILES[N-]=[N+]=N[C@@H](CNC(=O)O)C1CCCCC1
InChIInChI=1S/C9H16N4O2/c10-13-12-8(6-11-9(14)15)7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,14,15)/t8-/m0/s1
InChIKeyJBZAZTTVLUIIJQ-QMMMGPOBSA-N
XLogP2.51
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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CID 57318228
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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-azido-2-cyclohexylethyl]carbamic acid?
The IUPAC name of [(2R)-2-azido-2-cyclohexylethyl]carbamic acid (CID 135348107) is [(2R)-2-azido-2-cyclohexylethyl]carbamic acid.
What is the SMILES notation for [(2R)-2-azido-2-cyclohexylethyl]carbamic acid?
The canonical SMILES for [(2R)-2-azido-2-cyclohexylethyl]carbamic acid is [N-]=[N+]=N[C@@H](CNC(=O)O)C1CCCCC1.
What is the InChIKey of [(2R)-2-azido-2-cyclohexylethyl]carbamic acid?
The InChIKey is JBZAZTTVLUIIJQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-13-12-8(6-11-9(14)15)7-4-2-1-3-5-7/h7-8,11H,1-6H2,(H,14,15)/t8-/m0/s1.
What are the key properties of [(2R)-2-azido-2-cyclohexylethyl]carbamic acid?
[(2R)-2-azido-2-cyclohexylethyl]carbamic acid has a molecular weight of 212.25 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-azido-2-cyclohexylethyl]carbamic acid is sourced from PubChem (CID 135348107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).