2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C16H23NO3S — CID 61071318

IUPAC2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(c1cccs1)N(C)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H23NO3S/c1-12(13-6-5-9-21-13)17(2)14(18)10-16(11-15(19)20)7-3-4-8-16/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyGMGANCRNZUJWCY-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.69
Rot. Bonds6

About 2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61071318) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61071318
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(c1cccs1)N(C)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H23NO3S/c1-12(13-6-5-9-21-13)17(2)14(18)10-16(11-15(19)20)7-3-4-8-16/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyGMGANCRNZUJWCY-UHFFFAOYSA-N
XLogP3.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61071318) is 2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CC(c1cccs1)N(C)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is GMGANCRNZUJWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-12(13-6-5-9-21-13)17(2)14(18)10-16(11-15(19)20)7-3-4-8-16/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 309.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).