3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid

C19H22N4O5 — CID 108801206

IUPAC3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCOc1ccc(C)cc1N1CC(C(=O)NC(Cc2cnc[nH]2)C(=O)O)CC1=O
InChIInChI=1S/C19H22N4O5/c1-11-3-4-16(28-2)15(5-11)23-9-12(6-17(23)24)18(25)22-14(19(26)27)7-13-8-20-10-21-13/h3-5,8,10,12,14H,6-7,9H2,1-2H3,(H,20,21)(H,22,25)(H,26,27)
InChIKeySZRBFRJATUSVSW-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.89
Rot. Bonds7

About 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid

3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 108801206) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID108801206
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCOc1ccc(C)cc1N1CC(C(=O)NC(Cc2cnc[nH]2)C(=O)O)CC1=O
InChIInChI=1S/C19H22N4O5/c1-11-3-4-16(28-2)15(5-11)23-9-12(6-17(23)24)18(25)22-14(19(26)27)7-13-8-20-10-21-13/h3-5,8,10,12,14H,6-7,9H2,1-2H3,(H,20,21)(H,22,25)(H,26,27)
InChIKeySZRBFRJATUSVSW-UHFFFAOYSA-N
XLogP0.89
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

(E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid
CID 120693126
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
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
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16771913
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
(3S)-1-(2-methoxy-5-methylphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94179751
3-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108788313
2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125132512
(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 104894143

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid (CID 108801206) is 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid is COc1ccc(C)cc1N1CC(C(=O)NC(Cc2cnc[nH]2)C(=O)O)CC1=O.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is SZRBFRJATUSVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-11-3-4-16(28-2)15(5-11)23-9-12(6-17(23)24)18(25)22-14(19(26)27)7-13-8-20-10-21-13/h3-5,8,10,12,14H,6-7,9H2,1-2H3,(H,20,21)(H,22,25)(H,26,27).
What are the key properties of 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 386.41 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 108801206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).