5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid

C10H13NO3 — CID 112546391

IUPAC5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C2CC(C(=O)O)CN2)o1
InChIInChI=1S/C10H13NO3/c1-6-2-3-9(14-6)8-4-7(5-11-8)10(12)13/h2-3,7-8,11H,4-5H2,1H3,(H,12,13)
InChIKeyPQQQJEAFCWBNMU-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.32
Rot. Bonds2

About 5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid

5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 112546391) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID112546391
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C2CC(C(=O)O)CN2)o1
InChIInChI=1S/C10H13NO3/c1-6-2-3-9(14-6)8-4-7(5-11-8)10(12)13/h2-3,7-8,11H,4-5H2,1H3,(H,12,13)
InChIKeyPQQQJEAFCWBNMU-UHFFFAOYSA-N
XLogP1.32
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(7-methyl-1,3-benzodioxol-4-yl)pyrrolidine-3-carboxylic acid
CID 117375588
5-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)pyrrolidine-3-carboxylic acid
CID 117498724
(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
CID 129369635
(2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid
CID 93020096
(2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine
CID 95566877
3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid
CID 116829420
5-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117367740
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-(5-bromo-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117457023
5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117376089
5-(2-hydroxy-4,5-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117342440
5-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine-3-carboxylic acid
CID 117412401

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid (CID 112546391) is 5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid is Cc1ccc(C2CC(C(=O)O)CN2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is PQQQJEAFCWBNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-2-3-9(14-6)8-4-7(5-11-8)10(12)13/h2-3,7-8,11H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid?
5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 112546391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).