[(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride

C10H20ClNO2 — CID 10656622

IUPAC[(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride
SMILESC[C@H]1CCCC[C@@]1(C[NH3+])CC(=O)O.[Cl-]
InChIInChI=1S/C10H19NO2.ClH/c1-8-4-2-3-5-10(8,7-11)6-9(12)13;/h8H,2-7,11H2,1H3,(H,12,13);1H/t8-,10-;/m0./s1
InChIKeyVUBFBBNAMKRADY-GNAZCLTHSA-N
MW221.73 g/mol
LogP-2.10
Rot. Bonds3

About [(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride

[(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride (PubChem CID 10656622) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is [(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride.

Molecular Properties

Compound Name[(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride
PubChem CID10656622
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name[(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride
SMILESC[C@H]1CCCC[C@@]1(C[NH3+])CC(=O)O.[Cl-]
InChIInChI=1S/C10H19NO2.ClH/c1-8-4-2-3-5-10(8,7-11)6-9(12)13;/h8H,2-7,11H2,1H3,(H,12,13);1H/t8-,10-;/m0./s1
InChIKeyVUBFBBNAMKRADY-GNAZCLTHSA-N
XLogP-2.10
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride?
The IUPAC name of [(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride (CID 10656622) is [(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride.
What is the SMILES notation for [(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride?
The canonical SMILES for [(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride is C[C@H]1CCCC[C@@]1(C[NH3+])CC(=O)O.[Cl-].
What is the InChIKey of [(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride?
The InChIKey is VUBFBBNAMKRADY-GNAZCLTHSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-8-4-2-3-5-10(8,7-11)6-9(12)13;/h8H,2-7,11H2,1H3,(H,12,13);1H/t8-,10-;/m0./s1.
What are the key properties of [(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride?
[(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride has a molecular weight of 221.73 g/mol, XLogP of -2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride is sourced from PubChem (CID 10656622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).