1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid

C11H19NO2 — CID 106984747

IUPAC1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C2CC2)C1
InChIInChI=1S/C11H19NO2/c1-8(2)11(10(13)14)5-6-12(7-11)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyKKPBCNIUTYUSNS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds3

About 1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984747) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984747
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C2CC2)C1
InChIInChI=1S/C11H19NO2/c1-8(2)11(10(13)14)5-6-12(7-11)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyKKPBCNIUTYUSNS-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984747) is 1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is KKPBCNIUTYUSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)11(10(13)14)5-6-12(7-11)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).