(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid

C10H15NO4 — CID 94917604

IUPAC(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1
InChIInChI=1S/C10H15NO4/c12-9(8-2-4-15-6-8)11-3-1-7(5-11)10(13)14/h7-8H,1-6H2,(H,13,14)/t7-,8-/m1/s1
InChIKeyYUWNZXVINHMQPH-HTQZYQBOSA-N
MW213.23 g/mol
LogP-0.04
Rot. Bonds2

About (3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 94917604) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID94917604
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1
InChIInChI=1S/C10H15NO4/c12-9(8-2-4-15-6-8)11-3-1-7(5-11)10(13)14/h7-8H,1-6H2,(H,13,14)/t7-,8-/m1/s1
InChIKeyYUWNZXVINHMQPH-HTQZYQBOSA-N
XLogP-0.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 94917604) is (3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1.
What is the InChIKey of (3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YUWNZXVINHMQPH-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15NO4/c12-9(8-2-4-15-6-8)11-3-1-7(5-11)10(13)14/h7-8H,1-6H2,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of (3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 94917604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).