2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid

C12H17NO3S — CID 66433089

IUPAC2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCc2cccs2)CCO1
InChIInChI=1S/C12H17NO3S/c14-12(15)8-10-9-13(5-6-16-10)4-3-11-2-1-7-17-11/h1-2,7,10H,3-6,8-9H2,(H,14,15)
InChIKeyGIWGTLQRKXQSFJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.47
Rot. Bonds5

About 2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid

2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid (PubChem CID 66433089) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid
PubChem CID66433089
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCc2cccs2)CCO1
InChIInChI=1S/C12H17NO3S/c14-12(15)8-10-9-13(5-6-16-10)4-3-11-2-1-7-17-11/h1-2,7,10H,3-6,8-9H2,(H,14,15)
InChIKeyGIWGTLQRKXQSFJ-UHFFFAOYSA-N
XLogP1.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid (CID 66433089) is 2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(CCc2cccs2)CCO1.
What is the InChIKey of 2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid?
The InChIKey is GIWGTLQRKXQSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-12(15)8-10-9-13(5-6-16-10)4-3-11-2-1-7-17-11/h1-2,7,10H,3-6,8-9H2,(H,14,15).
What are the key properties of 2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid?
2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid has a molecular weight of 255.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-thiophen-2-ylethyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).