1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid

C11H20N2O4 — CID 63149085

IUPAC1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCCCNC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(9(14)15)4-6-13(8-11)10(16)12-5-3-7-17-2/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGKBGCGMOYCDADC-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds5

About 1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid

1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63149085) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63149085
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOCCCNC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(9(14)15)4-6-13(8-11)10(16)12-5-3-7-17-2/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGKBGCGMOYCDADC-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(3-propoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 82944645
1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122005796
3-methyl-1-[2-(trifluoromethoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011451
1-(2-carbamoyloxyethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 83203614
1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63135648
1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149485
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid
CID 63127376
3-methyl-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114516429
3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455
1-(2-methoxyethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226701
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147332

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63149085) is 1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid is COCCCNC(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is GKBGCGMOYCDADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(9(14)15)4-6-13(8-11)10(16)12-5-3-7-17-2/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).