2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride

C9H18ClNO2 — CID 22235313

IUPAC2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride
SMILESCC1(C(N)C(=O)O)CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(7(10)8(11)12)5-3-2-4-6-9;/h7H,2-6,10H2,1H3,(H,11,12);1H
InChIKeyXEEYKIDLWMICDJ-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride

2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride (PubChem CID 22235313) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride
PubChem CID22235313
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride
SMILESCC1(C(N)C(=O)O)CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(7(10)8(11)12)5-3-2-4-6-9;/h7H,2-6,10H2,1H3,(H,11,12);1H
InChIKeyXEEYKIDLWMICDJ-UHFFFAOYSA-N
XLogP1.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride (CID 22235313) is 2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride is CC1(C(N)C(=O)O)CCCCC1.Cl.
What is the InChIKey of 2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride?
The InChIKey is XEEYKIDLWMICDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-9(7(10)8(11)12)5-3-2-4-6-9;/h7H,2-6,10H2,1H3,(H,11,12);1H.
What are the key properties of 2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride?
2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride is sourced from PubChem (CID 22235313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).