1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid

C12H17NO2S — CID 4038004

IUPAC1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid
SMILESCCC(c1cccs1)N1CCCC1C(=O)O
InChIInChI=1S/C12H17NO2S/c1-2-9(11-6-4-8-16-11)13-7-3-5-10(13)12(14)15/h4,6,8-10H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyIDONKCNVDDCQBL-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.75
Rot. Bonds4

About 1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid

1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid (PubChem CID 4038004) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid
PubChem CID4038004
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid
SMILESCCC(c1cccs1)N1CCCC1C(=O)O
InChIInChI=1S/C12H17NO2S/c1-2-9(11-6-4-8-16-11)13-7-3-5-10(13)12(14)15/h4,6,8-10H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyIDONKCNVDDCQBL-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine
CID 115311578
1-[1-(2-bromophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 4652875
1-[1-(2,4-dimethylphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 3658896
1-[[4-(dimethylamino)phenyl]-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5091825
1-[1,3-benzothiazol-2-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3902125
2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
CID 79606686
1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid
CID 65053879
2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid
CID 83198545
3-(2-ethylpiperidin-1-yl)-3-thiophen-2-ylpropanoic acid
CID 82134042
1-[1-(2-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 115997267
1-[(3-methoxyphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4994063
1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4660480

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid (CID 4038004) is 1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid is CCC(c1cccs1)N1CCCC1C(=O)O.
What is the InChIKey of 1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IDONKCNVDDCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-9(11-6-4-8-16-11)13-7-3-5-10(13)12(14)15/h4,6,8-10H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of 1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid?
1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 4038004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).