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

C10H13NO3 — CID 42575452

IUPAC2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@H]1c1ccco1
InChIInChI=1S/C10H13NO3/c12-10(13)7-11-5-1-3-8(11)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7H2,(H,12,13)/t8-/m0/s1
InChIKeyGYLSSPISULWIBJ-QMMMGPOBSA-N
MW195.22 g/mol
LogP1.50
Rot. Bonds3

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

2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid (PubChem CID 42575452) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
PubChem CID42575452
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@H]1c1ccco1
InChIInChI=1S/C10H13NO3/c12-10(13)7-11-5-1-3-8(11)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7H2,(H,12,13)/t8-/m0/s1
InChIKeyGYLSSPISULWIBJ-QMMMGPOBSA-N
XLogP1.50
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetate
CID 95632349
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone
CID 124762588
(2R)-2-(furan-2-yl)-1-propylpiperidine
CID 124500851
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674179
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 99851614
(2R)-2-(furan-2-yl)-1-(2-methylpropyl)piperidine
CID 124500855
(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 51346068
N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide
CID 124853733

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid (CID 42575452) is 2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid is O=C(O)CN1CCC[C@H]1c1ccco1.
What is the InChIKey of 2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid?
The InChIKey is GYLSSPISULWIBJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(13)7-11-5-1-3-8(11)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7H2,(H,12,13)/t8-/m0/s1.
What are the key properties of 2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid?
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid has a molecular weight of 195.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 42575452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).