2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid

C12H22N2O2 — CID 115103189

IUPAC2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCN1CCC(CC2(C(=O)O)CCCN2)C1
InChIInChI=1S/C12H22N2O2/c1-2-14-7-4-10(9-14)8-12(11(15)16)5-3-6-13-12/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeySEZPTFMIPJIOKB-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.93
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid

2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 115103189) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID115103189
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCN1CCC(CC2(C(=O)O)CCCN2)C1
InChIInChI=1S/C12H22N2O2/c1-2-14-7-4-10(9-14)8-12(11(15)16)5-3-6-13-12/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeySEZPTFMIPJIOKB-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103541
1-ethyl-3-[(2-methylpyrrolidin-2-yl)methyl]pyrrolidine
CID 117270951
2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
CID 115103561
methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103188
2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 115103179
2-ethyl-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 83071590
methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 115103207
2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 11997713
2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 117272111
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385
methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103333
methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103685

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 115103189) is 2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid is CCN1CCC(CC2(C(=O)O)CCCN2)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SEZPTFMIPJIOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-14-7-4-10(9-14)8-12(11(15)16)5-3-6-13-12/h10,13H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115103189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).