(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid

C10H13NO2S — CID 67253384

IUPAC(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1Cc1ccsc1
InChIInChI=1S/C10H13NO2S/c12-10(13)9-2-1-4-11(9)6-8-3-5-14-7-8/h3,5,7,9H,1-2,4,6H2,(H,12,13)/t9-/m0/s1
InChIKeyVPGBWHRTJMGZPF-VIFPVBQESA-N
MW211.29 g/mol
LogP1.80
Rot. Bonds3

About (2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid

(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 67253384) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID67253384
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1Cc1ccsc1
InChIInChI=1S/C10H13NO2S/c12-10(13)9-2-1-4-11(9)6-8-3-5-14-7-8/h3,5,7,9H,1-2,4,6H2,(H,12,13)/t9-/m0/s1
InChIKeyVPGBWHRTJMGZPF-VIFPVBQESA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid
CID 114426332
(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913874
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
(2S)-1-[(2-chlorothiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122038756
2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 63387601
1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82470543
(3S)-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 94882244
(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 45230803
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111
(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 75518225

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid (CID 67253384) is (2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1Cc1ccsc1.
What is the InChIKey of (2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VPGBWHRTJMGZPF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(13)9-2-1-4-11(9)6-8-3-5-14-7-8/h3,5,7,9H,1-2,4,6H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67253384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).