3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid

C15H19NO4 — CID 115060609

IUPAC3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
SMILESCc1ccccc1CN1C(=O)COCC1CCC(=O)O
InChIInChI=1S/C15H19NO4/c1-11-4-2-3-5-12(11)8-16-13(6-7-15(18)19)9-20-10-14(16)17/h2-5,13H,6-10H2,1H3,(H,18,19)
InChIKeyGFJMHFREXSIIGT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.59
Rot. Bonds5

About 3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid

3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid (PubChem CID 115060609) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
PubChem CID115060609
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
SMILESCc1ccccc1CN1C(=O)COCC1CCC(=O)O
InChIInChI=1S/C15H19NO4/c1-11-4-2-3-5-12(11)8-16-13(6-7-15(18)19)9-20-10-14(16)17/h2-5,13H,6-10H2,1H3,(H,18,19)
InChIKeyGFJMHFREXSIIGT-UHFFFAOYSA-N
XLogP1.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060611
5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
CID 115060596
3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009713
3-(5-oxo-4-propylmorpholin-3-yl)propanoic acid
CID 115060552
3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid
CID 115060501
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
1-[(2-methylphenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812158
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
CID 117009412
N-benzhydryl-2-[1-[(2-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541804
3-[2-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid
CID 115060897
2-[5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]acetic acid
CID 115060573

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid?
The IUPAC name of 3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid (CID 115060609) is 3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid is Cc1ccccc1CN1C(=O)COCC1CCC(=O)O.
What is the InChIKey of 3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid?
The InChIKey is GFJMHFREXSIIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-4-2-3-5-12(11)8-16-13(6-7-15(18)19)9-20-10-14(16)17/h2-5,13H,6-10H2,1H3,(H,18,19).
What are the key properties of 3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid?
3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid is sourced from PubChem (CID 115060609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).