4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid

C19H26N2O5 — CID 120534511

IUPAC4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C1
InChIInChI=1S/C19H26N2O5/c1-12(2)17(22)20(3)10-13-5-7-14(8-6-13)18(23)21-11-15(26-4)9-16(21)19(24)25/h5-8,12,15-16H,9-11H2,1-4H3,(H,24,25)
InChIKeyGDLWINYKTWYZQC-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.62
Rot. Bonds6

About 4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid

4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 120534511) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID120534511
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C1
InChIInChI=1S/C19H26N2O5/c1-12(2)17(22)20(3)10-13-5-7-14(8-6-13)18(23)21-11-15(26-4)9-16(21)19(24)25/h5-8,12,15-16H,9-11H2,1-4H3,(H,24,25)
InChIKeyGDLWINYKTWYZQC-UHFFFAOYSA-N
XLogP1.62
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-[methyl(thiophen-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197545
(2S,3S)-2-methyl-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]piperidine-3-carboxylic acid
CID 122116003
1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359705
4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439869
1-(3,5-dichlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43099378
1-(3,5-dibromobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 107971197
1-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 63700451
4-methoxy-1-[3-(methoxymethyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 120534347
N-[[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide
CID 119411289
1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534462
4-methoxy-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201169
N-[[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide
CID 120748888

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid (CID 120534511) is 4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C1.
What is the InChIKey of 4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GDLWINYKTWYZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-12(2)17(22)20(3)10-13-5-7-14(8-6-13)18(23)21-11-15(26-4)9-16(21)19(24)25/h5-8,12,15-16H,9-11H2,1-4H3,(H,24,25).
What are the key properties of 4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120534511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).