2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid

C20H26N2O3 — CID 174215816

IUPAC2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid
SMILESCCCCC(C)(N[C@@H](C)c1ccc(Oc2ccccc2)nc1)C(=O)O
InChIInChI=1S/C20H26N2O3/c1-4-5-13-20(3,19(23)24)22-15(2)16-11-12-18(21-14-16)25-17-9-7-6-8-10-17/h6-12,14-15,22H,4-5,13H2,1-3H3,(H,23,24)/t15-,20?/m0/s1
InChIKeyCEHHEVQJJBVYLS-OOJLDXBWSA-N
MW342.44 g/mol
LogP4.56
Rot. Bonds9

About 2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid

2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid (PubChem CID 174215816) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid
PubChem CID174215816
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid
SMILESCCCCC(C)(N[C@@H](C)c1ccc(Oc2ccccc2)nc1)C(=O)O
InChIInChI=1S/C20H26N2O3/c1-4-5-13-20(3,19(23)24)22-15(2)16-11-12-18(21-14-16)25-17-9-7-6-8-10-17/h6-12,14-15,22H,4-5,13H2,1-3H3,(H,23,24)/t15-,20?/m0/s1
InChIKeyCEHHEVQJJBVYLS-OOJLDXBWSA-N
XLogP4.56
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849182
2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide
CID 118497754
methyl (2R)-3,3-dimethyl-2-phenylheptanoate
CID 101030842
2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid
CID 65055783
6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 68749693
3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170875135
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide
CID 111596072
2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
CID 120533319
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid
CID 142647385
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid?
The IUPAC name of 2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid (CID 174215816) is 2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid.
What is the SMILES notation for 2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid?
The canonical SMILES for 2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid is CCCCC(C)(N[C@@H](C)c1ccc(Oc2ccccc2)nc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid?
The InChIKey is CEHHEVQJJBVYLS-OOJLDXBWSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-5-13-20(3,19(23)24)22-15(2)16-11-12-18(21-14-16)25-17-9-7-6-8-10-17/h6-12,14-15,22H,4-5,13H2,1-3H3,(H,23,24)/t15-,20?/m0/s1.
What are the key properties of 2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid?
2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid has a molecular weight of 342.44 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]hexanoic acid is sourced from PubChem (CID 174215816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).