3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid

C12H22N2O3 — CID 63146127

IUPAC3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-4-12(10(15)16)5-6-14(8-12)11(17)13-7-9(2)3/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyWOSHRVSQDDKFCV-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds4

About 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63146127) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63146127
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-4-12(10(15)16)5-6-14(8-12)11(17)13-7-9(2)3/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyWOSHRVSQDDKFCV-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63148190
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
1-[2-(dimethylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147880
3-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 63959438
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79359494
3-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 113488071
3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164555892
1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63958831
3-ethyl-1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79559362
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 106279301
1-[(2-ethoxy-2-methylpropyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 114943511
3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106330455

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63146127) is 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCC(C)C)C1.
What is the InChIKey of 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WOSHRVSQDDKFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-12(10(15)16)5-6-14(8-12)11(17)13-7-9(2)3/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).