4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

C15H17NO5 — CID 43356958

IUPAC4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(/C=C/C(=O)N2CC(O)CC2C(=O)O)c1
InChIInChI=1S/C15H17NO5/c1-21-12-4-2-3-10(7-12)5-6-14(18)16-9-11(17)8-13(16)15(19)20/h2-7,11,13,17H,8-9H2,1H3,(H,19,20)/b6-5+
InChIKeyWAEZEHXQUINUHD-AATRIKPKSA-N
MW291.30 g/mol
LogP0.75
Rot. Bonds4

About 4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid (PubChem CID 43356958) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
PubChem CID43356958
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(/C=C/C(=O)N2CC(O)CC2C(=O)O)c1
InChIInChI=1S/C15H17NO5/c1-21-12-4-2-3-10(7-12)5-6-14(18)16-9-11(17)8-13(16)15(19)20/h2-7,11,13,17H,8-9H2,1H3,(H,19,20)/b6-5+
InChIKeyWAEZEHXQUINUHD-AATRIKPKSA-N
XLogP0.75
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-1-[3-(3-bromophenyl)prop-2-enoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78952430
(2R)-1-[3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 78922252
(E)-1-(3-hydroxyazetidin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 55178588
(E)-1-(3,4-dihydroxypyrrolidin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 106671102
(2S,4R)-4-hydroxy-1-(3-pyridin-3-ylprop-2-enoyl)pyrrolidine-2-carboxylic acid
CID 78952447
4-hydroxy-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43171339
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 76952541
(2S,4S)-1-[3-(4-ethylphenyl)prop-2-enoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78998533
(2R,4R)-4-hydroxy-1-[3-(2-methylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 79000720
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
(2S,4S)-4-hydroxy-1-(2-hydroxy-5-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 64713874
3-(3-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 78287690

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid (CID 43356958) is 4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid is COc1cccc(/C=C/C(=O)N2CC(O)CC2C(=O)O)c1.
What is the InChIKey of 4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WAEZEHXQUINUHD-AATRIKPKSA-N. The full InChI is InChI=1S/C15H17NO5/c1-21-12-4-2-3-10(7-12)5-6-14(18)16-9-11(17)8-13(16)15(19)20/h2-7,11,13,17H,8-9H2,1H3,(H,19,20)/b6-5+.
What are the key properties of 4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43356958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).