methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate

C12H25NO3 — CID 55208271

IUPACmethyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
SMILESCCCCOCCN(CC(=O)OC)C(C)C
InChIInChI=1S/C12H25NO3/c1-5-6-8-16-9-7-13(11(2)3)10-12(14)15-4/h11H,5-10H2,1-4H3
InChIKeyZTCXUAZPBXWGBI-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.69
Rot. Bonds9

About methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate

methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate (PubChem CID 55208271) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
PubChem CID55208271
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Namemethyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
SMILESCCCCOCCN(CC(=O)OC)C(C)C
InChIInChI=1S/C12H25NO3/c1-5-6-8-16-9-7-13(11(2)3)10-12(14)15-4/h11H,5-10H2,1-4H3
InChIKeyZTCXUAZPBXWGBI-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
CID 104564781
methyl 2-[(3-butoxy-2-hydroxypropyl)-propan-2-ylamino]acetate
CID 107264311
methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
CID 81113798
methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
CID 62227556
methyl 2-(2-butoxyethoxy)acetate
CID 21093221
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
CID 106456115
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62026064
methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62025905

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate (CID 55208271) is methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate is CCCCOCCN(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate?
The InChIKey is ZTCXUAZPBXWGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-6-8-16-9-7-13(11(2)3)10-12(14)15-4/h11H,5-10H2,1-4H3.
What are the key properties of methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate?
methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate has a molecular weight of 231.34 g/mol, XLogP of 1.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 55208271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).