2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid

C17H20N2O3 — CID 57138403

IUPAC2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid
SMILESCC(CCc1cccc(Oc2ccccc2)n1)C(N)C(=O)O
InChIInChI=1S/C17H20N2O3/c1-12(16(18)17(20)21)10-11-13-6-5-9-15(19-13)22-14-7-3-2-4-8-14/h2-9,12,16H,10-11,18H2,1H3,(H,20,21)
InChIKeyKFWVXAHFBQGCRZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.85
Rot. Bonds7

About 2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid

2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid (PubChem CID 57138403) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid
PubChem CID57138403
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid
SMILESCC(CCc1cccc(Oc2ccccc2)n1)C(N)C(=O)O
InChIInChI=1S/C17H20N2O3/c1-12(16(18)17(20)21)10-11-13-6-5-9-15(19-13)22-14-7-3-2-4-8-14/h2-9,12,16H,10-11,18H2,1H3,(H,20,21)
InChIKeyKFWVXAHFBQGCRZ-UHFFFAOYSA-N
XLogP2.85
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-phenoxypyridine
CID 19828151
2-phenoxy-6-(propan-2-yloxymethyl)pyridine
CID 154321381
2-phenoxy-6-(3-phenylpropyl)pyridine
CID 59649755
(6-phenoxy-2-pyridinyl)methyl 2-(2-benzothiophen-1-yl)-3-methylbutanoate
CID 23340422
1-(6-phenoxy-2-pyridinyl)ethanethiol
CID 13002991
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
(2S,3S)-2-amino-3-methyl-6-oxo-6-phenylhexanoic acid
CID 70430998
(6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide
CID 21282155
(2S,3S)-2-amino-3-methyl-6-oxo-6-phenylmethoxyhexanoic acid
CID 70073990
trans-(1R,3R)-3-(2-carboxyethenyl)-2,2-dimethyl-1-[2-(6-phenoxy-2-pyridinyl)ethyl]cyclopropane-1-carboxylic acid
CID 54427601
(2R,3R)-2-amino-3-methylpentanoic acid;(2R)-2-amino-3-phenylpropanoic acid
CID 67068667
2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid?
The IUPAC name of 2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid (CID 57138403) is 2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid.
What is the SMILES notation for 2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid?
The canonical SMILES for 2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid is CC(CCc1cccc(Oc2ccccc2)n1)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid?
The InChIKey is KFWVXAHFBQGCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(16(18)17(20)21)10-11-13-6-5-9-15(19-13)22-14-7-3-2-4-8-14/h2-9,12,16H,10-11,18H2,1H3,(H,20,21).
What are the key properties of 2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid?
2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid is sourced from PubChem (CID 57138403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).