methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate

C9H19NO3 — CID 115688695

IUPACmethyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
SMILESCOCCC(C)N(C)CC(=O)OC
InChIInChI=1S/C9H19NO3/c1-8(5-6-12-3)10(2)7-9(11)13-4/h8H,5-7H2,1-4H3
InChIKeyMRVBBTCAIGCNAZ-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.52
Rot. Bonds6

About methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate

methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate (PubChem CID 115688695) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
PubChem CID115688695
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
SMILESCOCCC(C)N(C)CC(=O)OC
InChIInChI=1S/C9H19NO3/c1-8(5-6-12-3)10(2)7-9(11)13-4/h8H,5-7H2,1-4H3
InChIKeyMRVBBTCAIGCNAZ-UHFFFAOYSA-N
XLogP0.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
CID 65056386
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 55028897
methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60720984
methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
CID 90862212
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60721008
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
methyl (4R)-6-methoxy-4-methylhexanoate
CID 10931927
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 115877350
ethane;4-methoxy-N-methyl-N-propylbutan-2-amine
CID 153329732
methyl 2-[1-cyanopropyl(methyl)amino]acetate
CID 62026696

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate?
The IUPAC name of methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate (CID 115688695) is methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate is COCCC(C)N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate?
The InChIKey is MRVBBTCAIGCNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(5-6-12-3)10(2)7-9(11)13-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate?
methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate has a molecular weight of 189.25 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate is sourced from PubChem (CID 115688695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).