2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid

C14H19NO3 — CID 66436018

IUPAC2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCc2ccccc2)CCO1
InChIInChI=1S/C14H19NO3/c16-14(17)10-13-11-15(8-9-18-13)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,17)
InChIKeyTZDWDNWAIGHJPH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.40
Rot. Bonds5

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

2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid (PubChem CID 66436018) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
PubChem CID66436018
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCc2ccccc2)CCO1
InChIInChI=1S/C14H19NO3/c16-14(17)10-13-11-15(8-9-18-13)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,17)
InChIKeyTZDWDNWAIGHJPH-UHFFFAOYSA-N
XLogP1.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid
CID 119247831
(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
CID 124945226
4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
CID 102604196
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid (CID 66436018) is 2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(CCc2ccccc2)CCO1.
What is the InChIKey of 2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid?
The InChIKey is TZDWDNWAIGHJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(17)10-13-11-15(8-9-18-13)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,17).
What are the key properties of 2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid?
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66436018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).