2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid

C10H19NO3 — CID 106454936

IUPAC2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
SMILESCCCOCCC1(C(=O)O)CCCN1
InChIInChI=1S/C10H19NO3/c1-2-7-14-8-5-10(9(12)13)4-3-6-11-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyQUGKLJDUAJTAOR-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds6

About 2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid

2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid (PubChem CID 106454936) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
PubChem CID106454936
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
SMILESCCCOCCC1(C(=O)O)CCCN1
InChIInChI=1S/C10H19NO3/c1-2-7-14-8-5-10(9(12)13)4-3-6-11-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyQUGKLJDUAJTAOR-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid (CID 106454936) is 2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid is CCCOCCC1(C(=O)O)CCCN1.
What is the InChIKey of 2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QUGKLJDUAJTAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-7-14-8-5-10(9(12)13)4-3-6-11-10/h11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid?
2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106454936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).