(2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate

C14H17NO5 — CID 163444275

IUPAC(2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)ON2CCCC2=O)ccc1O
InChIInChI=1S/C14H17NO5/c1-19-12-9-10(4-6-11(12)16)5-7-14(18)20-15-8-2-3-13(15)17/h4,6,9,16H,2-3,5,7-8H2,1H3
InChIKeyBBECNKSFNVOMAF-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.41
Rot. Bonds5

About (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate

(2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate (PubChem CID 163444275) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate
PubChem CID163444275
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)ON2CCCC2=O)ccc1O
InChIInChI=1S/C14H17NO5/c1-19-12-9-10(4-6-11(12)16)5-7-14(18)20-15-8-2-3-13(15)17/h4,6,9,16H,2-3,5,7-8H2,1H3
InChIKeyBBECNKSFNVOMAF-UHFFFAOYSA-N
XLogP1.41
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate with MolForge

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Related Compounds

ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
CID 175936648
CID 175936648
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
(E)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 10130870
(Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 91715816
[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]butyl] 3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 57393829
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
4-bromobutyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 174513946
3-(4-hydroxy-3-methoxyphenyl)-1-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)propan-1-one
CID 137344191
7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
CID 45276919
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate?
The IUPAC name of (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate (CID 163444275) is (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate is COc1cc(CCC(=O)ON2CCCC2=O)ccc1O.
What is the InChIKey of (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate?
The InChIKey is BBECNKSFNVOMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-12-9-10(4-6-11(12)16)5-7-14(18)20-15-8-2-3-13(15)17/h4,6,9,16H,2-3,5,7-8H2,1H3.
What are the key properties of (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate?
(2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate has a molecular weight of 279.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate is sourced from PubChem (CID 163444275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).