2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride

C13H26ClNO3 — CID 119913474

IUPAC2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride
SMILESCC1CCCCC1OCCN(C)C(C)C(=O)O.Cl
InChIInChI=1S/C13H25NO3.ClH/c1-10-6-4-5-7-12(10)17-9-8-14(3)11(2)13(15)16;/h10-12H,4-9H2,1-3H3,(H,15,16);1H
InChIKeyBFTNUQBWTFVVCW-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.41
Rot. Bonds6

About 2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride

2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride (PubChem CID 119913474) has the molecular formula C13H26ClNO3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride
PubChem CID119913474
Molecular FormulaC13H26ClNO3
Molecular Weight279.81 g/mol
Exact Mass279.16
IUPAC Name2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride
SMILESCC1CCCCC1OCCN(C)C(C)C(=O)O.Cl
InChIInChI=1S/C13H25NO3.ClH/c1-10-6-4-5-7-12(10)17-9-8-14(3)11(2)13(15)16;/h10-12H,4-9H2,1-3H3,(H,15,16);1H
InChIKeyBFTNUQBWTFVVCW-UHFFFAOYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[ethyl-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]amino]-2-methylpropanoic acid
CID 97324604
(2S)-2-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124689400
(2R)-2-[[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124693399
2,2-dimethyl-3-(2-methylcyclohexyl)oxypropanoic acid
CID 79622008
2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591
(2S,3S)-3-methyl-2-[[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]amino]pentanoic acid
CID 122100182
1-(2-methylcyclohexyl)oxybutan-2-one
CID 62040617
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide
CID 43291123
4-[2-(2-methylcyclohexyl)oxyethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672702
2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid
CID 65259711
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea
CID 112828680

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride (CID 119913474) is 2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride is CC1CCCCC1OCCN(C)C(C)C(=O)O.Cl.
What is the InChIKey of 2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride?
The InChIKey is BFTNUQBWTFVVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3.ClH/c1-10-6-4-5-7-12(10)17-9-8-14(3)11(2)13(15)16;/h10-12H,4-9H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride?
2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylcyclohexyl)oxyethyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 119913474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).