2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid

C15H22N2O3S — CID 60833985

IUPAC2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)NCCc1cccs1)C1CCCC1
InChIInChI=1S/C15H22N2O3S/c18-14(16-8-7-13-6-3-9-21-13)10-17(11-15(19)20)12-4-1-2-5-12/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H,16,18)(H,19,20)
InChIKeyGTTGPLXKQPHEMY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.74
Rot. Bonds8

About 2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid

2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid (PubChem CID 60833985) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid
PubChem CID60833985
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)NCCc1cccs1)C1CCCC1
InChIInChI=1S/C15H22N2O3S/c18-14(16-8-7-13-6-3-9-21-13)10-17(11-15(19)20)12-4-1-2-5-12/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H,16,18)(H,19,20)
InChIKeyGTTGPLXKQPHEMY-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(2-hydroxyethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 60693909
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
CID 51091360
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 51565254
2-cyclohexyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111351459
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
2-[cyclopropyl-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]amino]acetic acid
CID 60834359
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64816964
4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60810022

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid (CID 60833985) is 2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid is O=C(O)CN(CC(=O)NCCc1cccs1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid?
The InChIKey is GTTGPLXKQPHEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-14(16-8-7-13-6-3-9-21-13)10-17(11-15(19)20)12-4-1-2-5-12/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H,16,18)(H,19,20).
What are the key properties of 2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid?
2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid has a molecular weight of 310.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 60833985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).