methyl 2-[butyl(methyl)amino]-2-hydroxyacetate

C8H17NO3 — CID 139781513

IUPACmethyl 2-[butyl(methyl)amino]-2-hydroxyacetate
SMILESCCCCN(C)C(O)C(=O)OC
InChIInChI=1S/C8H17NO3/c1-4-5-6-9(2)7(10)8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyAVXZKXXOQABIEI-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.21
Rot. Bonds5

About methyl 2-[butyl(methyl)amino]-2-hydroxyacetate

methyl 2-[butyl(methyl)amino]-2-hydroxyacetate (PubChem CID 139781513) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl 2-[butyl(methyl)amino]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[butyl(methyl)amino]-2-hydroxyacetate
PubChem CID139781513
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl 2-[butyl(methyl)amino]-2-hydroxyacetate
SMILESCCCCN(C)C(O)C(=O)OC
InChIInChI=1S/C8H17NO3/c1-4-5-6-9(2)7(10)8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyAVXZKXXOQABIEI-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.21
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

2-[Butyl(2-hydroxyethyl)amino]ethanol;2-hydroxyacetic acid
CID 11593881
Methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate
CID 21363023
2-Hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]-methylamino]acetate
CID 22892485
2-[2-Methoxyethyl(propyl)amino]acetic acid
CID 23514919
2-[Carboxymethyl(propyl)amino]-2-hydroxyacetic acid
CID 54323010
Ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 57170246
Tert-butyl 2-(azetidin-1-yl)-2-hydroxyacetate
CID 57183442
Tert-butyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 57454288
Ethyl 2-[2-(2-hydroxyethoxy)ethyl-methylamino]acetate
CID 62011591
Butyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 70341390
(2-Ethoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium
CID 76281639
Ethyl 2-hydroxy-2-piperidin-1-ylacetate
CID 89923914

Frequently Asked Questions

What is the IUPAC name of methyl 2-[butyl(methyl)amino]-2-hydroxyacetate?
The IUPAC name of methyl 2-[butyl(methyl)amino]-2-hydroxyacetate (CID 139781513) is methyl 2-[butyl(methyl)amino]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[butyl(methyl)amino]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[butyl(methyl)amino]-2-hydroxyacetate is CCCCN(C)C(O)C(=O)OC.
What is the InChIKey of methyl 2-[butyl(methyl)amino]-2-hydroxyacetate?
The InChIKey is AVXZKXXOQABIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-5-6-9(2)7(10)8(11)12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 2-[butyl(methyl)amino]-2-hydroxyacetate?
methyl 2-[butyl(methyl)amino]-2-hydroxyacetate has a molecular weight of 175.23 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[butyl(methyl)amino]-2-hydroxyacetate is sourced from PubChem (CID 139781513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).