ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate

C19H25NO5 — CID 129449374

IUPACethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(C(=O)/C=C\c2ccc([C@@H]3C[C@H]3C)o2)CC1
InChIInChI=1S/C19H25NO5/c1-3-24-18(22)19(23)8-10-20(11-9-19)17(21)7-5-14-4-6-16(25-14)15-12-13(15)2/h4-7,13,15,23H,3,8-12H2,1-2H3/b7-5-/t13-,15-/m1/s1
InChIKeyNYWMVWHSFUZDPD-BBUPELFUSA-N
MW347.41 g/mol
LogP2.33
Rot. Bonds5

About ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate

ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate (PubChem CID 129449374) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate
PubChem CID129449374
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nameethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(C(=O)/C=C\c2ccc([C@@H]3C[C@H]3C)o2)CC1
InChIInChI=1S/C19H25NO5/c1-3-24-18(22)19(23)8-10-20(11-9-19)17(21)7-5-14-4-6-16(25-14)15-12-13(15)2/h4-7,13,15,23H,3,8-12H2,1-2H3/b7-5-/t13-,15-/m1/s1
InChIKeyNYWMVWHSFUZDPD-BBUPELFUSA-N
XLogP2.33
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate (CID 129449374) is ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate is CCOC(=O)C1(O)CCN(C(=O)/C=C\c2ccc([C@@H]3C[C@H]3C)o2)CC1.
What is the InChIKey of ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate?
The InChIKey is NYWMVWHSFUZDPD-BBUPELFUSA-N. The full InChI is InChI=1S/C19H25NO5/c1-3-24-18(22)19(23)8-10-20(11-9-19)17(21)7-5-14-4-6-16(25-14)15-12-13(15)2/h4-7,13,15,23H,3,8-12H2,1-2H3/b7-5-/t13-,15-/m1/s1.
What are the key properties of ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate?
ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-[(Z)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]piperidine-4-carboxylate is sourced from PubChem (CID 129449374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).