1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid

C14H26N2O4 — CID 63720596

IUPAC1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCOCCN(CC(C)C)C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-10(2)7-15(5-6-20-4)14(19)16-8-11(3)12(9-16)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyBLKMHCAYQQPEQB-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.36
Rot. Bonds6

About 1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid

1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63720596) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63720596
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCOCCN(CC(C)C)C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-10(2)7-15(5-6-20-4)14(19)16-8-11(3)12(9-16)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyBLKMHCAYQQPEQB-UHFFFAOYSA-N
XLogP1.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-methyl-1-[methyl(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085888
2-[4-[2-methoxyethyl(2-methylpropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433518
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721507
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719541
(3S,4S)-4-methyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085867
5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688123
1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63722005
1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719728
(3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085905
2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683119
3-ethyl-1-[2-methoxyethyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147459
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63720596) is 1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid is COCCN(CC(C)C)C(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BLKMHCAYQQPEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)7-15(5-6-20-4)14(19)16-8-11(3)12(9-16)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).