4-(furan-2-yl)pyrrolidine-3-carboxylic acid

C9H11NO3 — CID 53398418

IUPAC4-(furan-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1c1ccco1
InChIInChI=1S/C9H11NO3/c11-9(12)7-5-10-4-6(7)8-2-1-3-13-8/h1-3,6-7,10H,4-5H2,(H,11,12)
InChIKeyKMTSLALPZKTAJM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.67
Rot. Bonds2

About 4-(furan-2-yl)pyrrolidine-3-carboxylic acid

4-(furan-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 53398418) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(furan-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(furan-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID53398418
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-(furan-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1c1ccco1
InChIInChI=1S/C9H11NO3/c11-9(12)7-5-10-4-6(7)8-2-1-3-13-8/h1-3,6-7,10H,4-5H2,(H,11,12)
InChIKeyKMTSLALPZKTAJM-UHFFFAOYSA-N
XLogP0.67
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
CID 129413863
2-(furan-2-yl)cyclobutane-1-carboxylic acid
CID 81009452
(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
CID 129369635
(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid
CID 129494056
3-(furan-2-yl)-4-methylpiperidine
CID 66271678
(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762183
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972006
(2S,4S)-4-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 54235723
4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 53398348
2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid
CID 137370721
(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 2762108

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(furan-2-yl)pyrrolidine-3-carboxylic acid (CID 53398418) is 4-(furan-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(furan-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(furan-2-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNCC1c1ccco1.
What is the InChIKey of 4-(furan-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is KMTSLALPZKTAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-9(12)7-5-10-4-6(7)8-2-1-3-13-8/h1-3,6-7,10H,4-5H2,(H,11,12).
What are the key properties of 4-(furan-2-yl)pyrrolidine-3-carboxylic acid?
4-(furan-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 53398418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).