[1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium

C15H22NO2+ — CID 23238895

IUPAC[1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium
SMILES[NH3+]CC1(CC(=O)O)CCC(c2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c16-11-15(10-14(17)18)8-6-13(7-9-15)12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,18)/p+1
InChIKeyMTQJAJYWWIGFEW-UHFFFAOYSA-O
MW248.35 g/mol
LogP2.05
Rot. Bonds4

About [1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium

[1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium (PubChem CID 23238895) has the molecular formula C15H22NO2+ and a molecular weight of 248.35 g/mol. Its IUPAC name is [1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium.

Molecular Properties

Compound Name[1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium
PubChem CID23238895
Molecular FormulaC15H22NO2+
Molecular Weight248.35 g/mol
Exact Mass248.16
IUPAC Name[1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium
SMILES[NH3+]CC1(CC(=O)O)CCC(c2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c16-11-15(10-14(17)18)8-6-13(7-9-15)12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,18)/p+1
InChIKeyMTQJAJYWWIGFEW-UHFFFAOYSA-O
XLogP2.05
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium?
The IUPAC name of [1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium (CID 23238895) is [1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium.
What is the SMILES notation for [1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium?
The canonical SMILES for [1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium is [NH3+]CC1(CC(=O)O)CCC(c2ccccc2)CC1.
What is the InChIKey of [1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium?
The InChIKey is MTQJAJYWWIGFEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21NO2/c16-11-15(10-14(17)18)8-6-13(7-9-15)12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,18)/p+1.
What are the key properties of [1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium?
[1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium has a molecular weight of 248.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium is sourced from PubChem (CID 23238895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).