ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate

C19H21NO5 — CID 150761284

IUPACethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(N3CC[C@@H](OC)C3)cc2)cc1=O
InChIInChI=1S/C19H21NO5/c1-3-24-19(22)16-12-25-18(10-17(16)21)13-4-6-14(7-5-13)20-9-8-15(11-20)23-2/h4-7,10,12,15H,3,8-9,11H2,1-2H3/t15-/m1/s1
InChIKeyJXWPLUAIYXKMDN-OAHLLOKOSA-N
MW343.38 g/mol
LogP2.71
Rot. Bonds5

About ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate

ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate (PubChem CID 150761284) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate
PubChem CID150761284
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Nameethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(N3CC[C@@H](OC)C3)cc2)cc1=O
InChIInChI=1S/C19H21NO5/c1-3-24-19(22)16-12-25-18(10-17(16)21)13-4-6-14(7-5-13)20-9-8-15(11-20)23-2/h4-7,10,12,15H,3,8-9,11H2,1-2H3/t15-/m1/s1
InChIKeyJXWPLUAIYXKMDN-OAHLLOKOSA-N
XLogP2.71
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-oxopyran-3-carboxylic acid
CID 146312832
ethyl 6-(3-bromo-4-pyrrolidin-1-ylphenyl)-4-oxopyran-3-carboxylate
CID 146312839
ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate
CID 61305515
ethyl 3-fluoro-4-(3-methoxypyrrolidin-1-yl)benzoate
CID 146335739
ethyl 6-[4-[3-[(4-fluorophenyl)methoxy]pyrrolidin-1-yl]phenyl]-1-(2-methyl-1,3-benzothiazol-6-yl)-4-oxopyridine-3-carboxylate
CID 175426038
[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol
CID 103535412
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90595310
6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid
CID 160630166
ethyl 4-(4-methylsulfonyloxypiperidin-1-yl)benzoate
CID 86662015
ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 90291460
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
ethyl 5-amino-3-chloro-2-(4-methoxypiperidin-1-yl)benzoate
CID 107193933

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate?
The IUPAC name of ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate (CID 150761284) is ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate?
The canonical SMILES for ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate is CCOC(=O)c1coc(-c2ccc(N3CC[C@@H](OC)C3)cc2)cc1=O.
What is the InChIKey of ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate?
The InChIKey is JXWPLUAIYXKMDN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-24-19(22)16-12-25-18(10-17(16)21)13-4-6-14(7-5-13)20-9-8-15(11-20)23-2/h4-7,10,12,15H,3,8-9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate?
ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate is sourced from PubChem (CID 150761284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).