3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid

C17H23NO3 — CID 63146380

IUPAC3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C(C)(C)c2ccccc2)C1
InChIInChI=1S/C17H23NO3/c1-4-17(15(20)21)10-11-18(12-17)14(19)16(2,3)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,20,21)
InChIKeyFYENSJZOJZVYHP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.68
Rot. Bonds4

About 3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63146380) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID63146380
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C(C)(C)c2ccccc2)C1
InChIInChI=1S/C17H23NO3/c1-4-17(15(20)21)10-11-18(12-17)14(19)16(2,3)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,20,21)
InChIKeyFYENSJZOJZVYHP-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 63146599
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146811
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
3-ethyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63146290
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66396479
3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 119259477
3-ethyl-1-(2-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146682
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106330455
1-[(2-bromophenyl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149203
1-[2-(4-bromophenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256562

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid (CID 63146380) is 3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C(C)(C)c2ccccc2)C1.
What is the InChIKey of 3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FYENSJZOJZVYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-17(15(20)21)10-11-18(12-17)14(19)16(2,3)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,20,21).
What are the key properties of 3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).