2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid

C15H26N2O3S — CID 106305188

IUPAC2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCN2CCSCC2)CCCC1
InChIInChI=1S/C15H26N2O3S/c18-13(16-5-6-17-7-9-21-10-8-17)11-15(12-14(19)20)3-1-2-4-15/h1-12H2,(H,16,18)(H,19,20)
InChIKeyMRWCNRXQZXPZEY-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.58
Rot. Bonds7

About 2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 106305188) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
PubChem CID106305188
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCN2CCSCC2)CCCC1
InChIInChI=1S/C15H26N2O3S/c18-13(16-5-6-17-7-9-21-10-8-17)11-15(12-14(19)20)3-1-2-4-15/h1-12H2,(H,16,18)(H,19,20)
InChIKeyMRWCNRXQZXPZEY-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 114173937
2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071499
2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
CID 61459546
1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 54867602
1-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide
CID 103813670
2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 115686502
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-[2-oxo-2-(pyrrolidine-1-carbonylamino)ethyl]cyclopentyl]acetic acid
CID 61071340
2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106234667
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid (CID 106305188) is 2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCCN2CCSCC2)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is MRWCNRXQZXPZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c18-13(16-5-6-17-7-9-21-10-8-17)11-15(12-14(19)20)3-1-2-4-15/h1-12H2,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 314.45 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(2-thiomorpholin-4-ylethylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 106305188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).