1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid

C11H20N2O4 — CID 102699792

IUPAC1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCOC(C)CNC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H20N2O4/c1-7(17-3)6-12-11(16)13-5-4-9(8(13)2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyDICKETCSGFSEOI-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds4

About 1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid

1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 102699792) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID102699792
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCOC(C)CNC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H20N2O4/c1-7(17-3)6-12-11(16)13-5-4-9(8(13)2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyDICKETCSGFSEOI-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 102699853
2-methyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383140
N-(2-methoxypropyl)-4-methylpiperidine-1-carboxamide
CID 102697405
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383205
2-methyl-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 79383290
1-(2-methoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 102699573
2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383362
1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 83112725
2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383612
1-(1-ethoxypropan-2-ylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383765
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661
1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382716

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid (CID 102699792) is 1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid is COC(C)CNC(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is DICKETCSGFSEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(17-3)6-12-11(16)13-5-4-9(8(13)2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102699792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).