1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C17H22N2O5 — CID 122092161

IUPAC1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOC1CCOc2c(NC(=O)N3CCC(C)(C(=O)O)C3)cccc21
InChIInChI=1S/C17H22N2O5/c1-17(15(20)21)7-8-19(10-17)16(22)18-12-5-3-4-11-13(23-2)6-9-24-14(11)12/h3-5,13H,6-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyPGLUZQXOBIMXAK-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.49
Rot. Bonds3

About 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122092161) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122092161
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOC1CCOc2c(NC(=O)N3CCC(C)(C(=O)O)C3)cccc21
InChIInChI=1S/C17H22N2O5/c1-17(15(20)21)7-8-19(10-17)16(22)18-12-5-3-4-11-13(23-2)6-9-24-14(11)12/h3-5,13H,6-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyPGLUZQXOBIMXAK-UHFFFAOYSA-N
XLogP2.49
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-[(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122009406
3-methyl-1-[(2-methylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 107642319
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075784
4-[[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)amino]methyl]benzoic acid
CID 122033688
1-[(3-chloro-2-propan-2-yloxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085016
3-methyl-1-[(2-piperidin-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122073838
1-[[2-chloro-3-(difluoromethyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122089782
3-methyl-1-[(2-thiophen-2-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075136
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
1-[[3,4-bis(methoxycarbonyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085936
1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122094283
3-methyl-1-[[2-(2,2,2-trifluoroethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085669

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122092161) is 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is COC1CCOc2c(NC(=O)N3CCC(C)(C(=O)O)C3)cccc21.
What is the InChIKey of 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is PGLUZQXOBIMXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-17(15(20)21)7-8-19(10-17)16(22)18-12-5-3-4-11-13(23-2)6-9-24-14(11)12/h3-5,13H,6-10H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,4-dihydro-2H-chromen-8-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122092161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).