methyl 2-[bis(1-hydroxyethyl)amino]acetate

C7H15NO4 — CID 175353629

IUPACmethyl 2-[bis(1-hydroxyethyl)amino]acetate
SMILESCOC(=O)CN(C(C)O)C(C)O
InChIInChI=1S/C7H15NO4/c1-5(9)8(6(2)10)4-7(11)12-3/h5-6,9-10H,4H2,1-3H3
InChIKeyWKYJHQBHHFPDGT-UHFFFAOYSA-N
MW177.20 g/mol
LogP-0.86
Rot. Bonds4

About methyl 2-[bis(1-hydroxyethyl)amino]acetate

methyl 2-[bis(1-hydroxyethyl)amino]acetate (PubChem CID 175353629) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl 2-[bis(1-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[bis(1-hydroxyethyl)amino]acetate
PubChem CID175353629
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Namemethyl 2-[bis(1-hydroxyethyl)amino]acetate
SMILESCOC(=O)CN(C(C)O)C(C)O
InChIInChI=1S/C7H15NO4/c1-5(9)8(6(2)10)4-7(11)12-3/h5-6,9-10H,4H2,1-3H3
InChIKeyWKYJHQBHHFPDGT-UHFFFAOYSA-N
XLogP-0.86
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate
CID 62026454
methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024
methyl 2-[methanidyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 123211502
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278
methyl 3,4-dimethylpentanoate
CID 554058
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
CID 62025892
methyl 2-[3,3-dimethylbutanoyl(propan-2-yl)amino]acetate
CID 60766662
methyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026267
methyl 2-[(3-hydroxy-2-methylpropyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 115873294
methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride
CID 138059580

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis(1-hydroxyethyl)amino]acetate?
The IUPAC name of methyl 2-[bis(1-hydroxyethyl)amino]acetate (CID 175353629) is methyl 2-[bis(1-hydroxyethyl)amino]acetate.
What is the SMILES notation for methyl 2-[bis(1-hydroxyethyl)amino]acetate?
The canonical SMILES for methyl 2-[bis(1-hydroxyethyl)amino]acetate is COC(=O)CN(C(C)O)C(C)O.
What is the InChIKey of methyl 2-[bis(1-hydroxyethyl)amino]acetate?
The InChIKey is WKYJHQBHHFPDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-5(9)8(6(2)10)4-7(11)12-3/h5-6,9-10H,4H2,1-3H3.
What are the key properties of methyl 2-[bis(1-hydroxyethyl)amino]acetate?
methyl 2-[bis(1-hydroxyethyl)amino]acetate has a molecular weight of 177.20 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis(1-hydroxyethyl)amino]acetate is sourced from PubChem (CID 175353629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).