(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H11NO3S — CID 30048572

IUPAC(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccsc1
InChIInChI=1S/C10H11NO3S/c12-9(7-3-5-15-6-7)11-4-1-2-8(11)10(13)14/h3,5-6,8H,1-2,4H2,(H,13,14)/t8-/m0/s1
InChIKeyCIHNIIGSXJUTIS-QMMMGPOBSA-N
MW225.27 g/mol
LogP1.44
Rot. Bonds2

About (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 30048572) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID30048572
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccsc1
InChIInChI=1S/C10H11NO3S/c12-9(7-3-5-15-6-7)11-4-1-2-8(11)10(13)14/h3,5-6,8H,1-2,4H2,(H,13,14)/t8-/m0/s1
InChIKeyCIHNIIGSXJUTIS-QMMMGPOBSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 2740713
(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 714593
(2S)-1-[(2S)-5-amino-2-(thiophene-3-carbonylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 45269007
(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 714595
1-[(2-Bromo-3-thienyl)methyl]-5-oxoproline
CID 3432603
5-(Thiophene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 71790495
[2-(Hydroxymethyl)-2-methyl-1-pyrrolidinyl](3-thienyl)methanone
CID 86771532
(2S)-1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103804265
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 126785983
1-[5-(Trifluoromethyl)thiophene-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 132395757
(2S)-1-[3-(difluoromethyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 166253302
Methyl 2-[cyclopentyl(thiophene-3-carbonyl)amino]acetate
CID 71849310

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 30048572) is (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1ccsc1.
What is the InChIKey of (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CIHNIIGSXJUTIS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9(7-3-5-15-6-7)11-4-1-2-8(11)10(13)14/h3,5-6,8H,1-2,4H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 30048572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).