(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride

C10H20ClNO2 — CID 69433180

IUPAC(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
SMILESCN[C@H](C(=O)O)C1(C)CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(6-4-3-5-7-10)8(11-2)9(12)13;/h8,11H,3-7H2,1-2H3,(H,12,13);1H/t8-;/m1./s1
InChIKeyJNLCBUALFQAGKT-DDWIOCJRSA-N
MW221.73 g/mol
LogP2.05
Rot. Bonds3

About (2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride

(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride (PubChem CID 69433180) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is (2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
PubChem CID69433180
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
SMILESCN[C@H](C(=O)O)C1(C)CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(6-4-3-5-7-10)8(11-2)9(12)13;/h8,11H,3-7H2,1-2H3,(H,12,13);1H/t8-;/m1./s1
InChIKeyJNLCBUALFQAGKT-DDWIOCJRSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride?
The IUPAC name of (2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride (CID 69433180) is (2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride.
What is the SMILES notation for (2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride?
The canonical SMILES for (2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride is CN[C@H](C(=O)O)C1(C)CCCCC1.Cl.
What is the InChIKey of (2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride?
The InChIKey is JNLCBUALFQAGKT-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-10(6-4-3-5-7-10)8(11-2)9(12)13;/h8,11H,3-7H2,1-2H3,(H,12,13);1H/t8-;/m1./s1.
What are the key properties of (2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride?
(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride is sourced from PubChem (CID 69433180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).