1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

C13H16N2O4S — CID 43355708

IUPAC1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CCCC1C(=O)O)c1ccsc1
InChIInChI=1S/C13H16N2O4S/c16-11(15-6-1-2-10(15)13(18)19)3-5-14-12(17)9-4-7-20-8-9/h4,7-8,10H,1-3,5-6H2,(H,14,17)(H,18,19)
InChIKeyUYXOTELLJOATJB-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.94
Rot. Bonds5

About 1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 43355708) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID43355708
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CCCC1C(=O)O)c1ccsc1
InChIInChI=1S/C13H16N2O4S/c16-11(15-6-1-2-10(15)13(18)19)3-5-14-12(17)9-4-7-20-8-9/h4,7-8,10H,1-3,5-6H2,(H,14,17)(H,18,19)
InChIKeyUYXOTELLJOATJB-UHFFFAOYSA-N
XLogP0.94
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035340
N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 79028955
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
N-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 43421341
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119651026
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
(2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 64712990
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119468600
1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356395
N-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 102738090
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 120578831
N-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119649653

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 43355708) is 1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid is O=C(NCCC(=O)N1CCCC1C(=O)O)c1ccsc1.
What is the InChIKey of 1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UYXOTELLJOATJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c16-11(15-6-1-2-10(15)13(18)19)3-5-14-12(17)9-4-7-20-8-9/h4,7-8,10H,1-3,5-6H2,(H,14,17)(H,18,19).
What are the key properties of 1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 296.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).