2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid

C13H18N2O3 — CID 66435102

IUPAC2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
SMILESCC(c1ccccn1)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H18N2O3/c1-10(12-4-2-3-5-14-12)15-6-7-18-11(9-15)8-13(16)17/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyYMSOQDLZWSUWDL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.32
Rot. Bonds4

About 2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid

2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid (PubChem CID 66435102) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
PubChem CID66435102
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
SMILESCC(c1ccccn1)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H18N2O3/c1-10(12-4-2-3-5-14-12)15-6-7-18-11(9-15)8-13(16)17/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyYMSOQDLZWSUWDL-UHFFFAOYSA-N
XLogP1.32
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433752
2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
CID 66434887
[4-(2-amino-1-pyridin-2-ylpropyl)morpholin-2-yl]methanol
CID 81205655
2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433750
2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66435876
2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 65055730
2-[4-[1-(2-methoxyphenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 66433343
3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 65055236
3-oxo-3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 110480160
(3S)-1-(1-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 71301760
(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol
CID 86329912
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid (CID 66435102) is 2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid is CC(c1ccccn1)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid?
The InChIKey is YMSOQDLZWSUWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(12-4-2-3-5-14-12)15-6-7-18-11(9-15)8-13(16)17/h2-5,10-11H,6-9H2,1H3,(H,16,17).
What are the key properties of 2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid?
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).