3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid

C18H26N2O4 — CID 119362913

IUPAC3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid
SMILESCC1CN(Cc2ccc(C(=O)N(C)CCC(=O)O)cc2)CC(C)O1
InChIInChI=1S/C18H26N2O4/c1-13-10-20(11-14(2)24-13)12-15-4-6-16(7-5-15)18(23)19(3)9-8-17(21)22/h4-7,13-14H,8-12H2,1-3H3,(H,21,22)
InChIKeyPPAGDGXSIWOIDW-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.84
Rot. Bonds6

About 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid

3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid (PubChem CID 119362913) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid
PubChem CID119362913
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid
SMILESCC1CN(Cc2ccc(C(=O)N(C)CCC(=O)O)cc2)CC(C)O1
InChIInChI=1S/C18H26N2O4/c1-13-10-20(11-14(2)24-13)12-15-4-6-16(7-5-15)18(23)19(3)9-8-17(21)22/h4-7,13-14H,8-12H2,1-3H3,(H,21,22)
InChIKeyPPAGDGXSIWOIDW-UHFFFAOYSA-N
XLogP1.84
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid with MolForge

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Related Compounds

3-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 84758638
4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide
CID 171572082
(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]-methylamino]propanoic acid
CID 125151546
N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide
CID 55623499
N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120648106
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 84597365
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate
CID 78883683
3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid
CID 60989210
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 124682981
2-[cyclopropyl(methyl)amino]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 60503915

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid (CID 119362913) is 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid is CC1CN(Cc2ccc(C(=O)N(C)CCC(=O)O)cc2)CC(C)O1.
What is the InChIKey of 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid?
The InChIKey is PPAGDGXSIWOIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-10-20(11-14(2)24-13)12-15-4-6-16(7-5-15)18(23)19(3)9-8-17(21)22/h4-7,13-14H,8-12H2,1-3H3,(H,21,22).
What are the key properties of 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid?
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid has a molecular weight of 334.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-methylamino]propanoic acid is sourced from PubChem (CID 119362913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).