(2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid

C11H15NO3 — CID 70545181

IUPAC(2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCC(c1ccco1)C1CN[C@H](C(=O)O)C1
InChIInChI=1S/C11H15NO3/c1-7(10-3-2-4-15-10)8-5-9(11(13)14)12-6-8/h2-4,7-9,12H,5-6H2,1H3,(H,13,14)/t7?,8?,9-/m0/s1
InChIKeyPGEPKMJXYGKKFN-HACHORDNSA-N
MW209.25 g/mol
LogP1.45
Rot. Bonds3

About (2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid

(2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 70545181) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID70545181
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCC(c1ccco1)C1CN[C@H](C(=O)O)C1
InChIInChI=1S/C11H15NO3/c1-7(10-3-2-4-15-10)8-5-9(11(13)14)12-6-8/h2-4,7-9,12H,5-6H2,1H3,(H,13,14)/t7?,8?,9-/m0/s1
InChIKeyPGEPKMJXYGKKFN-HACHORDNSA-N
XLogP1.45
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 54517485
(2S,4S)-4-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 54235723
N-[1-(furan-2-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213451
(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 118704946
3-[1-(furan-2-yl)ethyl]cyclohexane-1-carbaldehyde
CID 151767410
N-[(1S)-1-(furan-2-yl)ethyl]azetidine-2-carboxamide
CID 130949858
2-(azetidin-3-yl)-N-[1-(furan-2-yl)ethyl]propanamide
CID 116674875
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 61249232
(S)-cyclopropyl(furan-2-yl)methanol
CID 39235067
(2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 93104490
(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838455

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid (CID 70545181) is (2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid is CC(c1ccco1)C1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PGEPKMJXYGKKFN-HACHORDNSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(10-3-2-4-15-10)8-5-9(11(13)14)12-6-8/h2-4,7-9,12H,5-6H2,1H3,(H,13,14)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
(2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70545181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).