2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid

C13H17NO4 — CID 129468857

IUPAC2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN1C(=O)CCc1ccoc1
InChIInChI=1S/C13H17NO4/c15-12(4-3-10-5-7-18-9-10)14-6-1-2-11(14)8-13(16)17/h5,7,9,11H,1-4,6,8H2,(H,16,17)/t11-/m0/s1
InChIKeyQMTZPVLYNKPKQA-NSHDSACASA-N
MW251.28 g/mol
LogP1.68
Rot. Bonds5

About 2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid

2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 129468857) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid
PubChem CID129468857
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN1C(=O)CCc1ccoc1
InChIInChI=1S/C13H17NO4/c15-12(4-3-10-5-7-18-9-10)14-6-1-2-11(14)8-13(16)17/h5,7,9,11H,1-4,6,8H2,(H,16,17)/t11-/m0/s1
InChIKeyQMTZPVLYNKPKQA-NSHDSACASA-N
XLogP1.68
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid (CID 129468857) is 2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid is O=C(O)C[C@@H]1CCCN1C(=O)CCc1ccoc1.
What is the InChIKey of 2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is QMTZPVLYNKPKQA-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO4/c15-12(4-3-10-5-7-18-9-10)14-6-1-2-11(14)8-13(16)17/h5,7,9,11H,1-4,6,8H2,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid?
2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 129468857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).