1-ethylpyrrolidine-2-carboxylic acid

C7H13NO2 — CID 19371949

IUPAC1-ethylpyrrolidine-2-carboxylic acid
SMILESCCN1CCCC1C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-8-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyYNXFKYXSWNIWGO-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.56
Rot. Bonds2

About 1-ethylpyrrolidine-2-carboxylic acid

1-ethylpyrrolidine-2-carboxylic acid (PubChem CID 19371949) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethylpyrrolidine-2-carboxylic acid
PubChem CID19371949
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-ethylpyrrolidine-2-carboxylic acid
SMILESCCN1CCCC1C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-8-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyYNXFKYXSWNIWGO-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66737893
CID 66737893
(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
CID 142681934
(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 174164435
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625
1-(2-deuterioethyl)piperidine-2-carboxylic acid
CID 139894502
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
(2S)-1-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-2-carboxylic acid
CID 122038699
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
CID 172742310
CID 172742310

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-ethylpyrrolidine-2-carboxylic acid (CID 19371949) is 1-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-ethylpyrrolidine-2-carboxylic acid is CCN1CCCC1C(=O)O.
What is the InChIKey of 1-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is YNXFKYXSWNIWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-8-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 1-ethylpyrrolidine-2-carboxylic acid?
1-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19371949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).