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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one
CID 136513747
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010514
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
2-[1-(3-phenylsulfanylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 61371271
1-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94799202
2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid
CID 61371275
2-[1-(2-phenylsulfanylacetyl)pyrrolidin-2-yl]acetic acid
CID 61371865
N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide
CID 128966915
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 74581521
2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
CID 61372139
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257

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).