3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 106980645

IUPAC3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2(C(C)C)CCNC2)C1
InChIInChI=1S/C15H26N2O3/c1-4-14(13(19)20)6-8-17(10-14)12(18)15(11(2)3)5-7-16-9-15/h11,16H,4-10H2,1-3H3,(H,19,20)
InChIKeyZFZRVNCZBUCTCA-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.34
Rot. Bonds4

About 3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 106980645) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID106980645
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2(C(C)C)CCNC2)C1
InChIInChI=1S/C15H26N2O3/c1-4-14(13(19)20)6-8-17(10-14)12(18)15(11(2)3)5-7-16-9-15/h11,16H,4-10H2,1-3H3,(H,19,20)
InChIKeyZFZRVNCZBUCTCA-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-4-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980650
3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63144873
8-azaspiro[4.5]decan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980652
(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980599
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981172
(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980687
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
(4-methyl-1,4-diazepan-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979625
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
3-ethyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145224

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 106980645) is 3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C2(C(C)C)CCNC2)C1.
What is the InChIKey of 3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZFZRVNCZBUCTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-14(13(19)20)6-8-17(10-14)12(18)15(11(2)3)5-7-16-9-15/h11,16H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106980645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).