3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid

C13H24N2O4 — CID 63148190

IUPAC3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(C)COC)C1
InChIInChI=1S/C13H24N2O4/c1-4-13(11(16)17)5-6-15(9-13)12(18)14-7-10(2)8-19-3/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyCCFNBOYZXAMRLU-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.17
Rot. Bonds6

About 3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148190) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63148190
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(C)COC)C1
InChIInChI=1S/C13H24N2O4/c1-4-13(11(16)17)5-6-15(9-13)12(18)14-7-10(2)8-19-3/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyCCFNBOYZXAMRLU-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
3-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 63959438
1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63958831
3-ethyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114469382
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
1-[2-(dimethylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147880
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79359494
3-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 113488071
1-[(2-ethoxy-2-methylpropyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 114943511
4-ethyl-1-(4-methoxybutylcarbamoyl)piperidine-4-carboxylic acid
CID 63127376
4-ethyl-1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 104763628
1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 64605109

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63148190) is 3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCC(C)COC)C1.
What is the InChIKey of 3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CCFNBOYZXAMRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-13(11(16)17)5-6-15(9-13)12(18)14-7-10(2)8-19-3/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).