benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate

C18H21NO2 — CID 170008237

IUPACbenzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate
SMILESCCc1cc([C@@H](C)C(=O)OCc2ccccc2)cnc1C
InChIInChI=1S/C18H21NO2/c1-4-16-10-17(11-19-14(16)3)13(2)18(20)21-12-15-8-6-5-7-9-15/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1
InChIKeyOEFHSBPEWDDHAK-CYBMUJFWSA-N
MW283.37 g/mol
LogP3.80
Rot. Bonds5

About benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate

benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate (PubChem CID 170008237) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate
PubChem CID170008237
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namebenzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate
SMILESCCc1cc([C@@H](C)C(=O)OCc2ccccc2)cnc1C
InChIInChI=1S/C18H21NO2/c1-4-16-10-17(11-19-14(16)3)13(2)18(20)21-12-15-8-6-5-7-9-15/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1
InChIKeyOEFHSBPEWDDHAK-CYBMUJFWSA-N
XLogP3.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[4-(trifluoromethoxy)phenyl]propanoate
CID 138500834
3-O-benzyl 1-O-ethyl 2-ethylpropanedioate
CID 57182542
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl 2-(3-prop-2-enylphenyl)propanoate
CID 70399092
ethyl (2S)-2-phenylpropanoate
CID 7204861
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2S)-2-amino-3-methylpentanoate;hydrochloride
CID 14074460
benzyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 16753995
3-[4-(1-oxo-1-phenylmethoxypropan-2-yl)phenyl]-3-phenylmethoxypropanoic acid
CID 142632550
benzyl 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propanoate
CID 166954415
benzyl (2S)-2-amino-3-ethylpentanoate
CID 139415997
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate?
The IUPAC name of benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate (CID 170008237) is benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate.
What is the SMILES notation for benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate?
The canonical SMILES for benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate is CCc1cc([C@@H](C)C(=O)OCc2ccccc2)cnc1C.
What is the InChIKey of benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate?
The InChIKey is OEFHSBPEWDDHAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-16-10-17(11-19-14(16)3)13(2)18(20)21-12-15-8-6-5-7-9-15/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1.
What are the key properties of benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate?
benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate has a molecular weight of 283.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate is sourced from PubChem (CID 170008237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).