2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid

C19H35N3O5 — CID 120606871

IUPAC2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCC(CC)C(C(=O)N1CCOC(CN(C)CC(=O)O)C1)N1CCOCC1
InChIInChI=1S/C19H35N3O5/c1-4-15(5-2)18(21-6-9-26-10-7-21)19(25)22-8-11-27-16(13-22)12-20(3)14-17(23)24/h15-16,18H,4-14H2,1-3H3,(H,23,24)
InChIKeyUIFQKHZNAAMVTH-UHFFFAOYSA-N
MW385.51 g/mol
LogP0.37
Rot. Bonds9

About 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 120606871) has the molecular formula C19H35N3O5 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID120606871
Molecular FormulaC19H35N3O5
Molecular Weight385.51 g/mol
Exact Mass385.26
IUPAC Name2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCC(CC)C(C(=O)N1CCOC(CN(C)CC(=O)O)C1)N1CCOCC1
InChIInChI=1S/C19H35N3O5/c1-4-15(5-2)18(21-6-9-26-10-7-21)19(25)22-8-11-27-16(13-22)12-20(3)14-17(23)24/h15-16,18H,4-14H2,1-3H3,(H,23,24)
InChIKeyUIFQKHZNAAMVTH-UHFFFAOYSA-N
XLogP0.37
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

(3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid
CID 124610614
2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 129330308
2-[[4-[2-(dimethylamino)butanoyl]morpholin-2-yl]methyl-methylamino]acetamide
CID 128975039
3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one
CID 119579084
2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966724
2-[methyl-[[(2S)-4-[(2S)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340143
2-[methyl-[[(2R)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340141
2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340144
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129335184
2-[methyl-[[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)morpholin-2-yl]methyl]amino]acetic acid
CID 128974742

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 120606871) is 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid is CCC(CC)C(C(=O)N1CCOC(CN(C)CC(=O)O)C1)N1CCOCC1.
What is the InChIKey of 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is UIFQKHZNAAMVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O5/c1-4-15(5-2)18(21-6-9-26-10-7-21)19(25)22-8-11-27-16(13-22)12-20(3)14-17(23)24/h15-16,18H,4-14H2,1-3H3,(H,23,24).
What are the key properties of 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 385.51 g/mol, XLogP of 0.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 120606871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).