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

C11H13NO3S — CID 10561979

IUPAC(2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C11H13NO3S/c13-10(6-8-3-5-16-7-8)12-4-1-2-9(12)11(14)15/h3,5,7,9H,1-2,4,6H2,(H,14,15)/t9-/m0/s1
InChIKeyOSZAJVSEMBSXQQ-VIFPVBQESA-N
MW239.30 g/mol
LogP1.37
Rot. Bonds3

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

(2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 10561979) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid
PubChem CID10561979
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name(2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C11H13NO3S/c13-10(6-8-3-5-16-7-8)12-4-1-2-9(12)11(14)15/h3,5,7,9H,1-2,4,6H2,(H,14,15)/t9-/m0/s1
InChIKeyOSZAJVSEMBSXQQ-VIFPVBQESA-N
XLogP1.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

TA-Orn-Pro
CID 11176510
H-3Thi-Lys-Pro-OH
CID 11280929
(2S)-1-[(2S)-5-amino-2-(4-thiophen-3-ylbutanoylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 45268137
(2S)-1-[(2S)-5-amino-2-[(2-thiophen-3-ylacetyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 45269008
(2S)-1-[(2S)-5-amino-2-(3-thiophen-3-ylpropanoylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 45270686
5-Oxo-1-(2-thienylmethyl)-2-pyrrolidinecarboxylic acid
CID 4517708
1-[2-(Thiophen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 16787951
(1R,2S,5S)-3-[(thiophen-3-yl)acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 25634231
1-[2-(Hydroxymethyl)-2-propyl-1-pyrrolidinyl]-2-(3-thienyl)-1-ethanone
CID 71830238
1-[2-(Hydroxymethyl)-2-methyl-1-pyrrolidinyl]-2-(3-thienyl)-1-ethanone
CID 71830253
2-[(2-Thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258966
3-Fluoro-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxylic acid
CID 120202500

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid (CID 10561979) is (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)Cc1ccsc1.
What is the InChIKey of (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OSZAJVSEMBSXQQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO3S/c13-10(6-8-3-5-16-7-8)12-4-1-2-9(12)11(14)15/h3,5,7,9H,1-2,4,6H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10561979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).