3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid

C9H16N2O3 — CID 63145543

IUPAC3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NC)C1
InChIInChI=1S/C9H16N2O3/c1-3-9(7(12)13)4-5-11(6-9)8(14)10-2/h3-6H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyWPZJWYDRUUCLSV-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.51
Rot. Bonds2

About 3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63145543) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63145543
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NC)C1
InChIInChI=1S/C9H16N2O3/c1-3-9(7(12)13)4-5-11(6-9)8(14)10-2/h3-6H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyWPZJWYDRUUCLSV-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 106279301
3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106330455
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79350941
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79359494
3,3-diethyl-N-methylpyrrolidine-1-carboxamide
CID 115686572
3-ethyl-1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79559362
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
1-[(2-ethoxy-2-methylpropyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 114943511
3-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 113488071

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63145543) is 3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NC)C1.
What is the InChIKey of 3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WPZJWYDRUUCLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-9(7(12)13)4-5-11(6-9)8(14)10-2/h3-6H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).