2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid

C9H19NO5 — CID 106991340

IUPAC2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
SMILESCOCCOCC(O)CN(C)CC(=O)O
InChIInChI=1S/C9H19NO5/c1-10(6-9(12)13)5-8(11)7-15-4-3-14-2/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyDATKOWKSTUEODQ-UHFFFAOYSA-N
MW221.25 g/mol
LogP-0.97
Rot. Bonds9

About 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid

2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid (PubChem CID 106991340) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
PubChem CID106991340
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
SMILESCOCCOCC(O)CN(C)CC(=O)O
InChIInChI=1S/C9H19NO5/c1-10(6-9(12)13)5-8(11)7-15-4-3-14-2/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyDATKOWKSTUEODQ-UHFFFAOYSA-N
XLogP-0.97
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
CID 63989472
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
CID 62041400
1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106991798
2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
CID 124630639
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992271
2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
CID 63931350
2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid
CID 175832916
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
CID 106991778
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid (CID 106991340) is 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid is COCCOCC(O)CN(C)CC(=O)O.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid?
The InChIKey is DATKOWKSTUEODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-10(6-9(12)13)5-8(11)7-15-4-3-14-2/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid?
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid has a molecular weight of 221.25 g/mol, XLogP of -0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid is sourced from PubChem (CID 106991340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).