2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid

C10H15NO2 — CID 83080106

IUPAC2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
SMILESC#CCN1CCCC1(CC)C(=O)O
InChIInChI=1S/C10H15NO2/c1-3-7-11-8-5-6-10(11,4-2)9(12)13/h1H,4-8H2,2H3,(H,12,13)
InChIKeyHXBFZHQXMBFAQZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.95
Rot. Bonds3

About 2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid

2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid (PubChem CID 83080106) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
PubChem CID83080106
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
SMILESC#CCN1CCCC1(CC)C(=O)O
InChIInChI=1S/C10H15NO2/c1-3-7-11-8-5-6-10(11,4-2)9(12)13/h1H,4-8H2,2H3,(H,12,13)
InChIKeyHXBFZHQXMBFAQZ-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199
1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080806
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-[ethyl(prop-2-ynyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070179
2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
CID 83070929
1-(1-adamantylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83064694
1-ethyl-2-(hydroxymethyl)piperidine-2-carboxylic acid
CID 138632226
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid (CID 83080106) is 2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid is C#CCN1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid?
The InChIKey is HXBFZHQXMBFAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-7-11-8-5-6-10(11,4-2)9(12)13/h1H,4-8H2,2H3,(H,12,13).
What are the key properties of 2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid?
2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).