2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid

C15H21NO3 — CID 117009348

IUPAC2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid
SMILESCCc1cccc(C)c1N1CCOCC1CC(=O)O
InChIInChI=1S/C15H21NO3/c1-3-12-6-4-5-11(2)15(12)16-7-8-19-10-13(16)9-14(17)18/h4-6,13H,3,7-10H2,1-2H3,(H,17,18)
InChIKeyVDAMPGQSVZZFQD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.24
Rot. Bonds4

About 2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid

2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid (PubChem CID 117009348) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid
PubChem CID117009348
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid
SMILESCCc1cccc(C)c1N1CCOCC1CC(=O)O
InChIInChI=1S/C15H21NO3/c1-3-12-6-4-5-11(2)15(12)16-7-8-19-10-13(16)9-14(17)18/h4-6,13H,3,7-10H2,1-2H3,(H,17,18)
InChIKeyVDAMPGQSVZZFQD-UHFFFAOYSA-N
XLogP2.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,6-diethylphenyl)morpholin-3-yl]ethanol
CID 117009293
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339
2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009368
3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
CID 117009412
2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid
CID 117009349
2-[4-(4-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009369
2-[4-(4-bromo-2-methylphenyl)morpholin-3-yl]acetic acid
CID 117009374
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
2-[4-(2-ethylphenyl)morpholin-3-yl]ethanol
CID 117009287
[1-(2,6-diethylphenyl)piperidin-2-yl]methanol
CID 117027992
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid
CID 104669843

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid (CID 117009348) is 2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid is CCc1cccc(C)c1N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid?
The InChIKey is VDAMPGQSVZZFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12-6-4-5-11(2)15(12)16-7-8-19-10-13(16)9-14(17)18/h4-6,13H,3,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid?
2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 117009348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).