2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid

C11H17NO4 — CID 104855615

IUPAC2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C11H17NO4/c13-10(14)7-8-3-1-5-12(8)11(15)9-4-2-6-16-9/h8-9H,1-7H2,(H,13,14)/t8?,9-/m1/s1
InChIKeyBFOWWCPZPVFHIX-YGPZHTELSA-N
MW227.26 g/mol
LogP0.63
Rot. Bonds3

About 2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid

2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid (PubChem CID 104855615) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid
PubChem CID104855615
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C11H17NO4/c13-10(14)7-8-3-1-5-12(8)11(15)9-4-2-6-16-9/h8-9H,1-7H2,(H,13,14)/t8?,9-/m1/s1
InChIKeyBFOWWCPZPVFHIX-YGPZHTELSA-N
XLogP0.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid (CID 104855615) is 2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)[C@H]1CCCO1.
What is the InChIKey of 2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is BFOWWCPZPVFHIX-YGPZHTELSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(14)7-8-3-1-5-12(8)11(15)9-4-2-6-16-9/h8-9H,1-7H2,(H,13,14)/t8?,9-/m1/s1.
What are the key properties of 2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 227.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 104855615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).