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

C13H17NO3 — CID 117009339

IUPAC2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
SMILESCc1ccc(N2CCOCC2CC(=O)O)cc1
InChIInChI=1S/C13H17NO3/c1-10-2-4-11(5-3-10)14-6-7-17-9-12(14)8-13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16)
InChIKeyDLDKJRXXXBWXOO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.67
Rot. Bonds3

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

2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid (PubChem CID 117009339) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
PubChem CID117009339
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
SMILESCc1ccc(N2CCOCC2CC(=O)O)cc1
InChIInChI=1S/C13H17NO3/c1-10-2-4-11(5-3-10)14-6-7-17-9-12(14)8-13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16)
InChIKeyDLDKJRXXXBWXOO-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009369
3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
CID 117009405
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009368
2-[4-(4-bromo-2-methylphenyl)morpholin-3-yl]acetic acid
CID 117009374
2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid
CID 117009348
2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid
CID 117009349
(4-phenylmorpholin-3-yl)methanol
CID 91802000
3-ethyl-4-phenylmorpholine
CID 154695616
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid (CID 117009339) is 2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid is Cc1ccc(N2CCOCC2CC(=O)O)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid?
The InChIKey is DLDKJRXXXBWXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-2-4-11(5-3-10)14-6-7-17-9-12(14)8-13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid?
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 117009339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).