2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride

C16H27ClN2O3 — CID 175558869

IUPAC2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride
SMILESCOc1cc(C(C)NC(CCC(C)(C)C)C(=O)O)ccn1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-11(12-7-9-17-14(10-12)21-5)18-13(15(19)20)6-8-16(2,3)4;/h7,9-11,13,18H,6,8H2,1-5H3,(H,19,20);1H
InChIKeyWTWFMPISZXXSIV-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.44
Rot. Bonds7

About 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride

2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride (PubChem CID 175558869) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride
PubChem CID175558869
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride
SMILESCOc1cc(C(C)NC(CCC(C)(C)C)C(=O)O)ccn1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-11(12-7-9-17-14(10-12)21-5)18-13(15(19)20)6-8-16(2,3)4;/h7,9-11,13,18H,6,8H2,1-5H3,(H,19,20);1H
InChIKeyWTWFMPISZXXSIV-UHFFFAOYSA-N
XLogP3.44
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride with MolForge

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Related Compounds

(2S)-2-(2-methoxy-4-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 99737404
(2S)-2-(benzhydrylamino)-5,5-dimethylhexanoic acid
CID 167496389
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
2-methoxy-4-pentan-2-ylpyridine
CID 155069578
(1R)-1-(2-methoxy-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130901703
2-(2-propan-2-yloxy-4-pyridinyl)propanoic acid
CID 83884295
(2R)-2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 78919876
(2S)-4-fluoro-4-methyl-2-[[(1S)-1-phenylethyl]amino]pentanoic acid
CID 163478461
(2S)-2-[(3-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496540
3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid
CID 104573292
(2S)-2-[(2-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496485

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride?
The IUPAC name of 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride (CID 175558869) is 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride.
What is the SMILES notation for 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride?
The canonical SMILES for 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride is COc1cc(C(C)NC(CCC(C)(C)C)C(=O)O)ccn1.Cl.
What is the InChIKey of 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride?
The InChIKey is WTWFMPISZXXSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-11(12-7-9-17-14(10-12)21-5)18-13(15(19)20)6-8-16(2,3)4;/h7,9-11,13,18H,6,8H2,1-5H3,(H,19,20);1H.
What are the key properties of 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride?
2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-4-pyridinyl)ethylamino]-5,5-dimethylhexanoic acid;hydrochloride is sourced from PubChem (CID 175558869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).