(2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid

C10H13NO2S — CID 2761943

IUPAC(2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(Cc2ccsc2)CCCN1
InChIInChI=1S/C10H13NO2S/c12-9(13)10(3-1-4-11-10)6-8-2-5-14-7-8/h2,5,7,11H,1,3-4,6H2,(H,12,13)/t10-/m1/s1
InChIKeyPCTJHIHRDWVCGP-SNVBAGLBSA-N
MW211.29 g/mol
LogP1.50
Rot. Bonds3

About (2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid

(2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 2761943) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID2761943
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(Cc2ccsc2)CCCN1
InChIInChI=1S/C10H13NO2S/c12-9(13)10(3-1-4-11-10)6-8-2-5-14-7-8/h2,5,7,11H,1,3-4,6H2,(H,12,13)/t10-/m1/s1
InChIKeyPCTJHIHRDWVCGP-SNVBAGLBSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830
2-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398141
1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid
CID 66025291
(2S)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 46741252
(2S)-2-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 7145473
2-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 83079953
2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398104
(2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761825
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
2-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398128
2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398103
(2S)-2-[(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 25030154

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid (CID 2761943) is (2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@]1(Cc2ccsc2)CCCN1.
What is the InChIKey of (2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PCTJHIHRDWVCGP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-9(13)10(3-1-4-11-10)6-8-2-5-14-7-8/h2,5,7,11H,1,3-4,6H2,(H,12,13)/t10-/m1/s1.
What are the key properties of (2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid?
(2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2761943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).