1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C16H23N3O4S — CID 119909479

IUPAC1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C16H23N3O4S/c1-2-18(10-14(20)17-9-12-5-4-8-24-12)15(21)11-19-7-3-6-13(19)16(22)23/h4-5,8,13H,2-3,6-7,9-11H2,1H3,(H,17,20)(H,22,23)
InChIKeyOLZJXXOCARTLOV-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.76
Rot. Bonds8

About 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119909479) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID119909479
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C16H23N3O4S/c1-2-18(10-14(20)17-9-12-5-4-8-24-12)15(21)11-19-7-3-6-13(19)16(22)23/h4-5,8,13H,2-3,6-7,9-11H2,1H3,(H,17,20)(H,22,23)
InChIKeyOLZJXXOCARTLOV-UHFFFAOYSA-N
XLogP0.76
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 24613844
2-[[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 24613622
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 8888780
1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 9443157
2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 60505182
2-[ethyl-[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 55835867
2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 62656444
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 78942399
N-ethyl-2-(4-oxoquinazolin-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 9287080
N-ethyl-2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 8960860
2-[2-(4-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42946126

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 119909479) is 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is CCN(CC(=O)NCc1cccs1)C(=O)CN1CCCC1C(=O)O.
What is the InChIKey of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OLZJXXOCARTLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-2-18(10-14(20)17-9-12-5-4-8-24-12)15(21)11-19-7-3-6-13(19)16(22)23/h4-5,8,13H,2-3,6-7,9-11H2,1H3,(H,17,20)(H,22,23).
What are the key properties of 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 353.44 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119909479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).