phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate

C17H17NO2 — CID 161388119

IUPACphenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate
SMILESO=C(C[C@@H](c1cccnc1)C1CC1)Oc1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(20-15-6-2-1-3-7-15)11-16(13-8-9-13)14-5-4-10-18-12-14/h1-7,10,12-13,16H,8-9,11H2/t16-/m1/s1
InChIKeyVSPVJRSAGXBFHV-MRXNPFEDSA-N
MW267.33 g/mol
LogP3.57
Rot. Bonds5

About phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate

phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate (PubChem CID 161388119) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namephenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate
PubChem CID161388119
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namephenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate
SMILESO=C(C[C@@H](c1cccnc1)C1CC1)Oc1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(20-15-6-2-1-3-7-15)11-16(13-8-9-13)14-5-4-10-18-12-14/h1-7,10,12-13,16H,8-9,11H2/t16-/m1/s1
InChIKeyVSPVJRSAGXBFHV-MRXNPFEDSA-N
XLogP3.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[(2-methylpropan-2-yl)oxycarbonylamino] 3-cyclopentyl-3-pyridin-3-ylpropanoate
CID 175441955
phenyl (3S)-3-cyclopropyl-4,4,4-trifluorobutanoate
CID 158904220
N-(3-cyclopropyl-3-phenylpropyl)pyridine-3-carboxamide
CID 84510606
4-oxo-4-phenoxy-2-phenylbutanoic acid
CID 70447338
N-[(2S)-2-cyclopentyl-2-phenylethyl]-2-pyridin-3-ylacetamide
CID 95213041
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
phenyl (3S)-3-cyclohexylpentanoate
CID 157293682
3-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylpropanamide
CID 175526153
pyridin-3-yl 4-cyano-4-phenylbutanoate
CID 90242202
pyridin-3-yl (3S)-3-benzylsulfanylbutanoate
CID 135044758
3-(1-piperidin-4-ylpropyl)pyridine
CID 83908701
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863

Frequently Asked Questions

What is the IUPAC name of phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate?
The IUPAC name of phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate (CID 161388119) is phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate.
What is the SMILES notation for phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate?
The canonical SMILES for phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate is O=C(C[C@@H](c1cccnc1)C1CC1)Oc1ccccc1.
What is the InChIKey of phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate?
The InChIKey is VSPVJRSAGXBFHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20-15-6-2-1-3-7-15)11-16(13-8-9-13)14-5-4-10-18-12-14/h1-7,10,12-13,16H,8-9,11H2/t16-/m1/s1.
What are the key properties of phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate?
phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate has a molecular weight of 267.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (3R)-3-cyclopropyl-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 161388119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).