2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 114617998

IUPAC2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESC=C(C)CNC(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C12H20N2O3/c1-4-12(10(15)16)6-5-7-14(12)11(17)13-8-9(2)3/h2,4-8H2,1,3H3,(H,13,17)(H,15,16)
InChIKeyIXDIETWTAMCECB-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.60
Rot. Bonds4

About 2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 114617998) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID114617998
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESC=C(C)CNC(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C12H20N2O3/c1-4-12(10(15)16)6-5-7-14(12)11(17)13-8-9(2)3/h2,4-8H2,1,3H3,(H,13,17)(H,15,16)
InChIKeyIXDIETWTAMCECB-UHFFFAOYSA-N
XLogP1.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071053
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644891
1-(2-carbamoyloxyethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83203913
2-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070246
2-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113363999
1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83063989
2-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83064829
2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 83070348
2-ethyl-1-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83061006
2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103997094
2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071140

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 114617998) is 2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid is C=C(C)CNC(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IXDIETWTAMCECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-12(10(15)16)6-5-7-14(12)11(17)13-8-9(2)3/h2,4-8H2,1,3H3,(H,13,17)(H,15,16).
What are the key properties of 2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114617998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).