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

C16H28N2O3 — CID 79359494

IUPAC3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C16H28N2O3/c1-6-16(12(19)20)7-8-18(10-16)13(21)17-9-11-14(2,3)15(11,4)5/h11H,6-10H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyAOVNRDOJIREGGM-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.56
Rot. Bonds4

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

3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79359494) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79359494
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C16H28N2O3/c1-6-16(12(19)20)7-8-18(10-16)13(21)17-9-11-14(2,3)15(11,4)5/h11H,6-10H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyAOVNRDOJIREGGM-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79350941
3-ethyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147259
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
1-[(1,1-dioxothiolan-3-yl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147573
3-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 113488071
3-ethyl-1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79559362
1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149610
3-ethyl-1-[(2-methylthiolan-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 80744572
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
1-[(2-ethoxy-2-methylpropyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 114943511
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 106279301

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 79359494) is 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCC2C(C)(C)C2(C)C)C1.
What is the InChIKey of 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AOVNRDOJIREGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-6-16(12(19)20)7-8-18(10-16)13(21)17-9-11-14(2,3)15(11,4)5/h11H,6-10H2,1-5H3,(H,17,21)(H,19,20).
What are the key properties of 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79359494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).