2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C19H29N3O5 — CID 120607008

IUPAC2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(C)CCOc1ccccc1C(=O)N1CCOC(CN(C)CC(=O)O)C1
InChIInChI=1S/C19H29N3O5/c1-20(2)8-10-27-17-7-5-4-6-16(17)19(25)22-9-11-26-15(13-22)12-21(3)14-18(23)24/h4-7,15H,8-14H2,1-3H3,(H,23,24)
InChIKeyJFVURYYDSFSDCK-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.48
Rot. Bonds9

About 2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 120607008) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID120607008
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(C)CCOc1ccccc1C(=O)N1CCOC(CN(C)CC(=O)O)C1
InChIInChI=1S/C19H29N3O5/c1-20(2)8-10-27-17-7-5-4-6-16(17)19(25)22-9-11-26-15(13-22)12-21(3)14-18(23)24/h4-7,15H,8-14H2,1-3H3,(H,23,24)
InChIKeyJFVURYYDSFSDCK-UHFFFAOYSA-N
XLogP0.48
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606962
2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid
CID 129473594
[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489592
2-[[4-(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607006
2-[[4-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128992651
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129343303
(3S,4S)-1-[2-[2-(dimethylamino)ethoxy]benzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950342
2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248384
2-[[4-[2-(2-bromophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128973419
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 124688335

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 120607008) is 2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(C)CCOc1ccccc1C(=O)N1CCOC(CN(C)CC(=O)O)C1.
What is the InChIKey of 2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is JFVURYYDSFSDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-20(2)8-10-27-17-7-5-4-6-16(17)19(25)22-9-11-26-15(13-22)12-21(3)14-18(23)24/h4-7,15H,8-14H2,1-3H3,(H,23,24).
What are the key properties of 2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 379.46 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 120607008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).