1-(dimethylamino)ethyl 2-hydroxyacetate

C6H13NO3 — CID 154486667

IUPAC1-(dimethylamino)ethyl 2-hydroxyacetate
SMILESCC(OC(=O)CO)N(C)C
InChIInChI=1S/C6H13NO3/c1-5(7(2)3)10-6(9)4-8/h5,8H,4H2,1-3H3
InChIKeyAQUSFFFPZFBFPI-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.57
Rot. Bonds3

About 1-(dimethylamino)ethyl 2-hydroxyacetate

1-(dimethylamino)ethyl 2-hydroxyacetate (PubChem CID 154486667) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl 2-hydroxyacetate.

Molecular Properties

Compound Name1-(dimethylamino)ethyl 2-hydroxyacetate
PubChem CID154486667
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-(dimethylamino)ethyl 2-hydroxyacetate
SMILESCC(OC(=O)CO)N(C)C
InChIInChI=1S/C6H13NO3/c1-5(7(2)3)10-6(9)4-8/h5,8H,4H2,1-3H3
InChIKeyAQUSFFFPZFBFPI-UHFFFAOYSA-N
XLogP-0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
1-(dimethylamino)propan-2-yl 2-hydroxyacetate
CID 175391300
1-(dimethylamino)ethyl nonanoate
CID 88815154
[(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate
CID 89488956
1-(2-hydroxyacetyl)oxyethanesulfonic acid
CID 174546702
1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate
CID 176891960
1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826
1-[1-(dimethylamino)ethoxy]ethyl carbamate
CID 22641132
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
[3-[2-(2-hydroxyacetyl)oxypropanoyloxy]-2,2-bis[2-(2-hydroxyacetyl)oxypropanoyloxymethyl]propyl] 2-(2-hydroxyacetyl)oxypropanoate
CID 118909267
1-(dimethylamino)ethyl 4-hydroxy-2-methylhex-2-enoate;hydrochloride
CID 173070429
1-chlorobutan-2-yl 2-hydroxyacetate
CID 174642743

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl 2-hydroxyacetate?
The IUPAC name of 1-(dimethylamino)ethyl 2-hydroxyacetate (CID 154486667) is 1-(dimethylamino)ethyl 2-hydroxyacetate.
What is the SMILES notation for 1-(dimethylamino)ethyl 2-hydroxyacetate?
The canonical SMILES for 1-(dimethylamino)ethyl 2-hydroxyacetate is CC(OC(=O)CO)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl 2-hydroxyacetate?
The InChIKey is AQUSFFFPZFBFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(7(2)3)10-6(9)4-8/h5,8H,4H2,1-3H3.
What are the key properties of 1-(dimethylamino)ethyl 2-hydroxyacetate?
1-(dimethylamino)ethyl 2-hydroxyacetate has a molecular weight of 147.17 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl 2-hydroxyacetate is sourced from PubChem (CID 154486667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).