3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 79350941

IUPAC3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C15H26N2O3/c1-6-15(11(18)19)7-8-17(9-15)12(20)16-10-13(2,3)14(10,4)5/h10H,6-9H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyTUGJSPRWZIEEHX-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds3

About 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79350941) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79350941
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C15H26N2O3/c1-6-15(11(18)19)7-8-17(9-15)12(20)16-10-13(2,3)14(10,4)5/h10H,6-9H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyTUGJSPRWZIEEHX-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79359494
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
1-[(2-aminocyclohexyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149032
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106330455
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
1-[(1,1-dioxothian-3-yl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63923768
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145607
1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 55164602
3-ethyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147259
3-ethyl-1-[(2-methylthiolan-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 80744572

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 79350941) is 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NC2C(C)(C)C2(C)C)C1.
What is the InChIKey of 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is TUGJSPRWZIEEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-6-15(11(18)19)7-8-17(9-15)12(20)16-10-13(2,3)14(10,4)5/h10H,6-9H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79350941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).