methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate

C19H19NO3 — CID 71746220

IUPACmethyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@H]1C[C@@H]1c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C19H19NO3/c1-22-19(21)8-7-15-10-18(15)16-9-17(12-20-11-16)23-13-14-5-3-2-4-6-14/h2-9,11-12,15,18H,10,13H2,1H3/b8-7+/t15-,18-/m0/s1
InChIKeyLQWUZEZAFQAMNQ-KJTGTQQJSA-N
MW309.37 g/mol
LogP3.49
Rot. Bonds6

About methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate

methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate (PubChem CID 71746220) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate
PubChem CID71746220
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@H]1C[C@@H]1c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C19H19NO3/c1-22-19(21)8-7-15-10-18(15)16-9-17(12-20-11-16)23-13-14-5-3-2-4-6-14/h2-9,11-12,15,18H,10,13H2,1H3/b8-7+/t15-,18-/m0/s1
InChIKeyLQWUZEZAFQAMNQ-KJTGTQQJSA-N
XLogP3.49
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate
CID 11310192
2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol
CID 56951233
3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine
CID 59371597
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine
CID 68612157
N-methyl-5-phenylmethoxypyridine-3-carboxamide
CID 123214761
tert-butyl (E)-3-amino-3-(5-phenylmethoxy-3-pyridinyl)prop-2-enoate
CID 71259022
(E)-N-methoxy-N-methyl-3-(5-phenylmethoxy-3-pyridinyl)prop-2-enamide;(E)-3-(5-phenylmethoxy-3-pyridinyl)prop-2-enoic acid
CID 158949694
2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid
CID 122100417
methyl 3-[2-(phenylmethoxycarbonylamino)oxetan-3-yl]prop-2-enoate
CID 175544203
benzyl (2S,3S)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-methylaziridine-1-carboxylate
CID 102484180
5-phenylmethoxypyridin-3-amine
CID 22989735

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate (CID 71746220) is methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate is COC(=O)/C=C/[C@H]1C[C@@H]1c1cncc(OCc2ccccc2)c1.
What is the InChIKey of methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate?
The InChIKey is LQWUZEZAFQAMNQ-KJTGTQQJSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-19(21)8-7-15-10-18(15)16-9-17(12-20-11-16)23-13-14-5-3-2-4-6-14/h2-9,11-12,15,18H,10,13H2,1H3/b8-7+/t15-,18-/m0/s1.
What are the key properties of methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate?
methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate has a molecular weight of 309.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate is sourced from PubChem (CID 71746220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).