(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid

C10H13NO3 — CID 129369635

IUPAC(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc([C@H]2CNC[C@H]2C(=O)O)o1
InChIInChI=1S/C10H13NO3/c1-6-2-3-9(14-6)7-4-11-5-8(7)10(12)13/h2-3,7-8,11H,4-5H2,1H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyPDYLVQVUSMVRCI-JGVFFNPUSA-N
MW195.22 g/mol
LogP0.98
Rot. Bonds2

About (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid

(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 129369635) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID129369635
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc([C@H]2CNC[C@H]2C(=O)O)o1
InChIInChI=1S/C10H13NO3/c1-6-2-3-9(14-6)7-4-11-5-8(7)10(12)13/h2-3,7-8,11H,4-5H2,1H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyPDYLVQVUSMVRCI-JGVFFNPUSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-3-(furan-2-yl)butanoic acid
CID 15696509
4-Amino-3-(5-methylfuran-2-yl)butanoic acid
CID 15696511
(3S)-4-amino-3-(5-methylfuran-2-yl)butanoic acid
CID 44297332
3-(Furan-2-yl)pyrrolidine
CID 52988233
(3S)-4-amino-3-(furan-2-yl)butanoic acid
CID 15696510
3-(Furan-2-yl)pyrrolidine hydrochloride
CID 52988232
4-(Furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
3-[5-(Trifluoromethyl)furan-2-yl]pyrrolidine
CID 82659069
3-Fluoro-3-(furan-2-yl)pyrrolidine
CID 83815445
3-Fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine
CID 83817225
3-(Furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 110838662
3-[3-[5-(2-Fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid
CID 119237186

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid (CID 129369635) is (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid is Cc1ccc([C@H]2CNC[C@H]2C(=O)O)o1.
What is the InChIKey of (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is PDYLVQVUSMVRCI-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-2-3-9(14-6)7-4-11-5-8(7)10(12)13/h2-3,7-8,11H,4-5H2,1H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid?
(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129369635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).