2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid

C94H181N7O45 — CID 160947529

IUPAC2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid
SMILESCOCC(C)(COC)C(=O)NCC(=O)O.COCC(C)(COC)C(=O)OCC(=O)O.COCC(C)(COC)C(=O)OCCCCCC(=O)O.COCCN(CCOC)C(=O)CCC(=O)O.COCCN(CCOC)C(=O)CCCC(=O)O.COCCN(CCOC)C(=O)CCCCC(=O)O.COCCN(CCOC)C(=O)CCCCCC(=O)O.COCCN(CCOC)CC(=O)O.COCCN(CCOC)CCC(=O)O
InChIInChI=1S/C13H25NO5.C13H24O6.C12H23NO5.C11H21NO5.C10H19NO5.C9H17NO5.C9H19NO4.C9H16O6.C8H17NO4/c1-18-10-8-14(9-11-19-2)12(15)6-4-3-5-7-13(16)17;1-13(9-17-2,10-18-3)12(16)19-8-6-4-5-7-11(14)15;1-17-9-7-13(8-10-18-2)11(14)5-3-4-6-12(15)16;1-16-8-6-12(7-9-17-2)10(13)4-3-5-11(14)15;1-15-7-5-11(6-8-16-2)9(12)3-4-10(13)14;1-9(5-14-2,6-15-3)8(13)10-4-7(11)12;1-13-7-5-10(6-8-14-2)4-3-9(11)12;1-9(5-13-2,6-14-3)8(12)15-4-7(10)11;1-12-5-3-9(4-6-13-2)7-8(10)11/h3-11H2,1-2H3,(H,16,17);4-10H2,1-3H3,(H,14,15);3-10H2,1-2H3,(H,15,16);3-9H2,1-2H3,(H,14,15);3-8H2,1-2H3,(H,13,14);4-6H2,1-3H3,(H,10,13)(H,11,12);3-8H2,1-2H3,(H,11,12);4-6H2,1-3H3,(H,10,11);3-7H2,1-2H3,(H,10,11)
InChIKeySVHVRXAOPQBWDT-UHFFFAOYSA-N
MW2129.49 g/mol
LogP2.83
Rot. Bonds84

About 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid

2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid (PubChem CID 160947529) has the molecular formula C94H181N7O45 and a molecular weight of 2129.49 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid
PubChem CID160947529
Molecular FormulaC94H181N7O45
Molecular Weight2129.49 g/mol
Exact Mass2128.21
IUPAC Name2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid
SMILESCOCC(C)(COC)C(=O)NCC(=O)O.COCC(C)(COC)C(=O)OCC(=O)O.COCC(C)(COC)C(=O)OCCCCCC(=O)O.COCCN(CCOC)C(=O)CCC(=O)O.COCCN(CCOC)C(=O)CCCC(=O)O.COCCN(CCOC)C(=O)CCCCC(=O)O.COCCN(CCOC)C(=O)CCCCCC(=O)O.COCCN(CCOC)CC(=O)O.COCCN(CCOC)CCC(=O)O
InChIInChI=1S/C13H25NO5.C13H24O6.C12H23NO5.C11H21NO5.C10H19NO5.C9H17NO5.C9H19NO4.C9H16O6.C8H17NO4/c1-18-10-8-14(9-11-19-2)12(15)6-4-3-5-7-13(16)17;1-13(9-17-2,10-18-3)12(16)19-8-6-4-5-7-11(14)15;1-17-9-7-13(8-10-18-2)11(14)5-3-4-6-12(15)16;1-16-8-6-12(7-9-17-2)10(13)4-3-5-11(14)15;1-15-7-5-11(6-8-16-2)9(12)3-4-10(13)14;1-9(5-14-2,6-15-3)8(13)10-4-7(11)12;1-13-7-5-10(6-8-14-2)4-3-9(11)12;1-9(5-13-2,6-14-3)8(12)15-4-7(10)11;1-12-5-3-9(4-6-13-2)7-8(10)11/h3-11H2,1-2H3,(H,16,17);4-10H2,1-3H3,(H,14,15);3-10H2,1-2H3,(H,15,16);3-9H2,1-2H3,(H,14,15);3-8H2,1-2H3,(H,13,14);4-6H2,1-3H3,(H,10,13)(H,11,12);3-8H2,1-2H3,(H,11,12);4-6H2,1-3H3,(H,10,11);3-7H2,1-2H3,(H,10,11)
InChIKeySVHVRXAOPQBWDT-UHFFFAOYSA-N
XLogP2.83
TPSA671.26 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds84
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002129.49
LogP ≤ 52.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid
CID 121241193
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
CID 55137663
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
3-[2-methoxyethyl(propyl)amino]propanoic acid
CID 82328080
2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methoxyethyl)amino]acetic acid
CID 79269851
2-[[1-[3-[3-[[2-(carboxymethylcarbamoyloxy)-2-methylpropanoyl]amino]propyl-tetradecanoylamino]propylamino]-2-methyl-1-oxopropan-2-yl]oxycarbonylamino]acetic acid
CID 129139459
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
2-[2-[2-[2-methoxyethyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]oxy-2-methylpropanoyl]oxyacetic acid
CID 169191584
3-[2-carboxyethyl-[2-[2-carboxyethyl(decanoyl)amino]ethyl]amino]propanoic acid
CID 19347829
5-[bis(3-oxo-3-tetradecoxypropyl)amino]pentanoic acid
CID 163227526
2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid
CID 119189224

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid (CID 160947529) is 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid is COCC(C)(COC)C(=O)NCC(=O)O.COCC(C)(COC)C(=O)OCC(=O)O.COCC(C)(COC)C(=O)OCCCCCC(=O)O.COCCN(CCOC)C(=O)CCC(=O)O.COCCN(CCOC)C(=O)CCCC(=O)O.COCCN(CCOC)C(=O)CCCCC(=O)O.COCCN(CCOC)C(=O)CCCCCC(=O)O.COCCN(CCOC)CC(=O)O.COCCN(CCOC)CCC(=O)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid?
The InChIKey is SVHVRXAOPQBWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5.C13H24O6.C12H23NO5.C11H21NO5.C10H19NO5.C9H17NO5.C9H19NO4.C9H16O6.C8H17NO4/c1-18-10-8-14(9-11-19-2)12(15)6-4-3-5-7-13(16)17;1-13(9-17-2,10-18-3)12(16)19-8-6-4-5-7-11(14)15;1-17-9-7-13(8-10-18-2)11(14)5-3-4-6-12(15)16;1-16-8-6-12(7-9-17-2)10(13)4-3-5-11(14)15;1-15-7-5-11(6-8-16-2)9(12)3-4-10(13)14;1-9(5-14-2,6-15-3)8(13)10-4-7(11)12;1-13-7-5-10(6-8-14-2)4-3-9(11)12;1-9(5-13-2,6-14-3)8(12)15-4-7(10)11;1-12-5-3-9(4-6-13-2)7-8(10)11/h3-11H2,1-2H3,(H,16,17);4-10H2,1-3H3,(H,14,15);3-10H2,1-2H3,(H,15,16);3-9H2,1-2H3,(H,14,15);3-8H2,1-2H3,(H,13,14);4-6H2,1-3H3,(H,10,13)(H,11,12);3-8H2,1-2H3,(H,11,12);4-6H2,1-3H3,(H,10,11);3-7H2,1-2H3,(H,10,11).
What are the key properties of 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid?
2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid has a molecular weight of 2129.49 g/mol, XLogP of 2.83, 84 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid is sourced from PubChem (CID 160947529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).