1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid

C10H19NO3 — CID 59148162

IUPAC1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)OCCN1CCC(C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-8(2)14-6-5-11-4-3-9(7-11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRBIANGODNRUHTD-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds5

About 1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid

1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid (PubChem CID 59148162) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid
PubChem CID59148162
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)OCCN1CCC(C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-8(2)14-6-5-11-4-3-9(7-11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRBIANGODNRUHTD-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid (CID 59148162) is 1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid is CC(C)OCCN1CCC(C(=O)O)C1.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RBIANGODNRUHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)14-6-5-11-4-3-9(7-11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid?
1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 59148162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).