(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid

C10H13NO3 — CID 2762075

IUPAC(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](Cc2ccco2)CN1
InChIInChI=1S/C10H13NO3/c12-10(13)9-5-7(6-11-9)4-8-2-1-3-14-8/h1-3,7,9,11H,4-6H2,(H,12,13)/t7-,9+/m1/s1
InChIKeyLFMONIVZGAORJX-APPZFPTMSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds3

About (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 2762075) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID2762075
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](Cc2ccco2)CN1
InChIInChI=1S/C10H13NO3/c12-10(13)9-5-7(6-11-9)4-8-2-1-3-14-8/h1-3,7,9,11H,4-6H2,(H,12,13)/t7-,9+/m1/s1
InChIKeyLFMONIVZGAORJX-APPZFPTMSA-N
XLogP0.88
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 2762075) is (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](Cc2ccco2)CN1.
What is the InChIKey of (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LFMONIVZGAORJX-APPZFPTMSA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(13)9-5-7(6-11-9)4-8-2-1-3-14-8/h1-3,7,9,11H,4-6H2,(H,12,13)/t7-,9+/m1/s1.
What are the key properties of (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2762075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).