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

C10H13NO2S — CID 63140808

IUPAC3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2cccs2)CCNC1
InChIInChI=1S/C10H13NO2S/c12-9(13)10(3-4-11-7-10)6-8-2-1-5-14-8/h1-2,5,11H,3-4,6-7H2,(H,12,13)
InChIKeyYYUDNKCPDLNDTA-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.35
Rot. Bonds3

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

3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63140808) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID63140808
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2cccs2)CCNC1
InChIInChI=1S/C10H13NO2S/c12-9(13)10(3-4-11-7-10)6-8-2-1-5-14-8/h1-2,5,11H,3-4,6-7H2,(H,12,13)
InChIKeyYYUDNKCPDLNDTA-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 63132024
4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid
CID 63774592
1,1-dioxo-3-(thiophen-2-ylmethyl)thiolane-3-carboxylic acid
CID 78991895
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
3-[(2,6-dichlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140571
1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116569911
(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
CID 67327801
3-fluoro-3-(thiophen-2-ylmethyl)piperidine
CID 83819153
3-[(3-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63141083
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361995
3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 112650921

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid (CID 63140808) is 3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(Cc2cccs2)CCNC1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YYUDNKCPDLNDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-9(13)10(3-4-11-7-10)6-8-2-1-5-14-8/h1-2,5,11H,3-4,6-7H2,(H,12,13).
What are the key properties of 3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid?
3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63140808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).