(E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid

C19H24N2O5 — CID 120693126

IUPAC(E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1)C(=O)O
InChIInChI=1S/C19H24N2O5/c1-4-5-6-14(19(24)25)20-18(23)13-10-17(22)21(11-13)15-9-12(2)7-8-16(15)26-3/h4-5,7-9,13-14H,6,10-11H2,1-3H3,(H,20,23)(H,24,25)/b5-4+
InChIKeyMUKOHMHDXZPDSV-SNAWJCMRSA-N
MW360.41 g/mol
LogP1.89
Rot. Bonds7

About (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid

(E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid (PubChem CID 120693126) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid
PubChem CID120693126
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name(E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1)C(=O)O
InChIInChI=1S/C19H24N2O5/c1-4-5-6-14(19(24)25)20-18(23)13-10-17(22)21(11-13)15-9-12(2)7-8-16(15)26-3/h4-5,7-9,13-14H,6,10-11H2,1-3H3,(H,20,23)(H,24,25)/b5-4+
InChIKeyMUKOHMHDXZPDSV-SNAWJCMRSA-N
XLogP1.89
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid with MolForge

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Related Compounds

(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 108801206
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108788294
2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120702014
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
N-(2-amino-2-phenylethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119528407
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363496
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363499
4-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108788320
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213

Frequently Asked Questions

What is the IUPAC name of (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid?
The IUPAC name of (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid (CID 120693126) is (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid is C/C=C/CC(NC(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1)C(=O)O.
What is the InChIKey of (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid?
The InChIKey is MUKOHMHDXZPDSV-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-4-5-6-14(19(24)25)20-18(23)13-10-17(22)21(11-13)15-9-12(2)7-8-16(15)26-3/h4-5,7-9,13-14H,6,10-11H2,1-3H3,(H,20,23)(H,24,25)/b5-4+.
What are the key properties of (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid?
(E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid has a molecular weight of 360.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid is sourced from PubChem (CID 120693126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).