1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C16H24N2O5 — CID 122009381

IUPAC1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCCC(NC(=O)N1CCC(C)(C(=O)O)C1)c1ccc(C)o1
InChIInChI=1S/C16H24N2O5/c1-11-4-5-13(23-11)12(6-9-22-3)17-15(21)18-8-7-16(2,10-18)14(19)20/h4-5,12H,6-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyFCCPIOMFBFVIMJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.17
Rot. Bonds6

About 1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122009381) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122009381
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCCC(NC(=O)N1CCC(C)(C(=O)O)C1)c1ccc(C)o1
InChIInChI=1S/C16H24N2O5/c1-11-4-5-13(23-11)12(6-9-22-3)17-15(21)18-8-7-16(2,10-18)14(19)20/h4-5,12H,6-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyFCCPIOMFBFVIMJ-UHFFFAOYSA-N
XLogP2.17
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-fluorophenyl)-2-methoxyethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 154782276
(9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 124885042
(9aS)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 124885044
(2R)-2-ethyl-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylmorpholine-4-carboxamide
CID 99831196
1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147875
1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149085
1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122012361
3-methyl-1-[[2-(4-methylphenyl)-1-pyridin-2-ylethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122002520
1-[[5-fluoro-2-(2-methoxyethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079006
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124608580
3-methyl-1-[[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079804
1-[[3,5-dichloro-4-(2-methoxyethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088694

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122009381) is 1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is COCCC(NC(=O)N1CCC(C)(C(=O)O)C1)c1ccc(C)o1.
What is the InChIKey of 1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is FCCPIOMFBFVIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-11-4-5-13(23-11)12(6-9-22-3)17-15(21)18-8-7-16(2,10-18)14(19)20/h4-5,12H,6-10H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122009381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).