(2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H11NO3S — CID 30048576

IUPAC(2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccsc1
InChIInChI=1S/C10H11NO3S/c12-9(7-3-5-15-6-7)11-4-1-2-8(11)10(13)14/h3,5-6,8H,1-2,4H2,(H,13,14)/t8-/m1/s1
InChIKeyCIHNIIGSXJUTIS-MRVPVSSYSA-N
MW225.27 g/mol
LogP1.44
Rot. Bonds2

About (2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 30048576) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is (2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID30048576
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name(2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccsc1
InChIInChI=1S/C10H11NO3S/c12-9(7-3-5-15-6-7)11-4-1-2-8(11)10(13)14/h3,5-6,8H,1-2,4H2,(H,13,14)/t8-/m1/s1
InChIKeyCIHNIIGSXJUTIS-MRVPVSSYSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 30048576) is (2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1ccsc1.
What is the InChIKey of (2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CIHNIIGSXJUTIS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9(7-3-5-15-6-7)11-4-1-2-8(11)10(13)14/h3,5-6,8H,1-2,4H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 30048576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).