2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid

C11H21NO2 — CID 83070563

IUPAC2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CC(C)C
InChIInChI=1S/C11H21NO2/c1-4-11(10(13)14)6-5-7-12(11)8-9(2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyRTBXHGKGTTZAFO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid (PubChem CID 83070563) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
PubChem CID83070563
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CC(C)C
InChIInChI=1S/C11H21NO2/c1-4-11(10(13)14)6-5-7-12(11)8-9(2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyRTBXHGKGTTZAFO-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
CID 83070929
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 83080106
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
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-[1-(1-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080824
1-(1-adamantylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83064694
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid (CID 83070563) is 2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CC(C)C.
What is the InChIKey of 2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RTBXHGKGTTZAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(10(13)14)6-5-7-12(11)8-9(2)3/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).