2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid

C16H23NO3S — CID 56886680

IUPAC2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1Cc1ccc(C2CCCC2)s1
InChIInChI=1S/C16H23NO3S/c18-16(19)9-13-11-20-8-7-17(13)10-14-5-6-15(21-14)12-3-1-2-4-12/h5-6,12-13H,1-4,7-11H2,(H,18,19)
InChIKeyKEEJIUIIMGRSNU-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid

2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid (PubChem CID 56886680) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
PubChem CID56886680
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1Cc1ccc(C2CCCC2)s1
InChIInChI=1S/C16H23NO3S/c18-16(19)9-13-11-20-8-7-17(13)10-14-5-6-15(21-14)12-3-1-2-4-12/h5-6,12-13H,1-4,7-11H2,(H,18,19)
InChIKeyKEEJIUIIMGRSNU-UHFFFAOYSA-N
XLogP3.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid (CID 56886680) is 2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1Cc1ccc(C2CCCC2)s1.
What is the InChIKey of 2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid?
The InChIKey is KEEJIUIIMGRSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-16(19)9-13-11-20-8-7-17(13)10-14-5-6-15(21-14)12-3-1-2-4-12/h5-6,12-13H,1-4,7-11H2,(H,18,19).
What are the key properties of 2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid?
2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid has a molecular weight of 309.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 56886680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).