cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate

C7H13NO2 — CID 7128324

IUPACcis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate
SMILES[NH3+][C@@H]1CCCC[C@@H]1C(=O)[O-]
InChIInChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyUSQHEVWOPJDAAX-NTSWFWBYSA-N
MW143.19 g/mol
LogP-1.46
Rot. Bonds1

About cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate

cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate (PubChem CID 7128324) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate
PubChem CID7128324
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namecis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate
SMILES[NH3+][C@@H]1CCCC[C@@H]1C(=O)[O-]
InChIInChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyUSQHEVWOPJDAAX-NTSWFWBYSA-N
XLogP-1.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate?
The IUPAC name of cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate (CID 7128324) is cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate?
The canonical SMILES for cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate is [NH3+][C@@H]1CCCC[C@@H]1C(=O)[O-].
What is the InChIKey of cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate?
The InChIKey is USQHEVWOPJDAAX-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate?
cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate has a molecular weight of 143.19 g/mol, XLogP of -1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate is sourced from PubChem (CID 7128324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).