3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid

C11H21NO2 — CID 55222175

IUPAC3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(C)C)C1
InChIInChI=1S/C11H21NO2/c1-4-11(10(13)14)5-6-12(8-11)7-9(2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeySRQCZYVLPBNJTF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds4

About 3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid (PubChem CID 55222175) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
PubChem CID55222175
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(C)C)C1
InChIInChI=1S/C11H21NO2/c1-4-11(10(13)14)5-6-12(8-11)7-9(2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeySRQCZYVLPBNJTF-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(2-ethylbutyl)pyrrolidine-3-carboxylic acid
CID 65063747
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
CID 63137169
3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148782
3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 63148391
3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid
CID 65213623
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
CID 63126221
1-(2-cyanoethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148826
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
3-ethyl-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148957
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
3-ethyl-1-(4-methylsulfanylbutyl)pyrrolidine-3-carboxylic acid
CID 103090449
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid (CID 55222175) is 3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(CC(C)C)C1.
What is the InChIKey of 3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SRQCZYVLPBNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(10(13)14)5-6-12(8-11)7-9(2)3/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55222175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).