(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-2-(1-methylcyclopentyl)acetic acid
CID 130965432
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
2-(1-methylcyclopentyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 167737694
2-(1-methylcyclohexyl)propanedioic acid
CID 12673903
2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride
CID 146194942
1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one
CID 143353919
2-cyano-2-(1-methylcyclohexyl)acetic acid
CID 12673904
2,3-dimethyl-4-[(1-methylcyclopentyl)amino]-4-oxobutanoic acid
CID 103498024
2-(methylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 67554583
3-(1-methylcyclohexyl)pentane-2,4-dione
CID 21339007
2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid
CID 168751618
methyl 2-amino-2-(1-methylcycloheptyl)acetate
CID 130949608

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).