3-methylbutyl 2-[acetyl(methyl)amino]acetate

C10H19NO3 — CID 78863232

IUPAC3-methylbutyl 2-[acetyl(methyl)amino]acetate
SMILESCC(=O)N(C)CC(=O)OCCC(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)5-6-14-10(13)7-11(4)9(3)12/h8H,5-7H2,1-4H3
InChIKeyFIWLJEPEKOFPSZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds5

About 3-methylbutyl 2-[acetyl(methyl)amino]acetate

3-methylbutyl 2-[acetyl(methyl)amino]acetate (PubChem CID 78863232) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methylbutyl 2-[acetyl(methyl)amino]acetate.

Molecular Properties

Compound Name3-methylbutyl 2-[acetyl(methyl)amino]acetate
PubChem CID78863232
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-methylbutyl 2-[acetyl(methyl)amino]acetate
SMILESCC(=O)N(C)CC(=O)OCCC(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)5-6-14-10(13)7-11(4)9(3)12/h8H,5-7H2,1-4H3
InChIKeyFIWLJEPEKOFPSZ-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbutyl 2-[carbamimidoyl(methyl)amino]acetate
CID 163374484
3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate
CID 78863396
ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
CID 55207593
4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
CID 91713125
bis(3-methylbutyl) tetradecanedioate
CID 87116358
bis(3-methylbutyl) 2-hydroxybutanedioate
CID 10308226
3-methylbutyl 5-(dimethylamino)-4-methyl-5-oxopentanoate
CID 58332852
3-methylbutyl acetate;oxophosphanium
CID 159706016
3-methylbutyl 2-[ethyl(prop-2-enoyl)amino]acetate
CID 134486244
3-methylbutyl 2-propan-2-yloxyacetate
CID 59502419
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
3-methylbutyl 2-(butan-2-ylamino)acetate
CID 61278693

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-[acetyl(methyl)amino]acetate?
The IUPAC name of 3-methylbutyl 2-[acetyl(methyl)amino]acetate (CID 78863232) is 3-methylbutyl 2-[acetyl(methyl)amino]acetate.
What is the SMILES notation for 3-methylbutyl 2-[acetyl(methyl)amino]acetate?
The canonical SMILES for 3-methylbutyl 2-[acetyl(methyl)amino]acetate is CC(=O)N(C)CC(=O)OCCC(C)C.
What is the InChIKey of 3-methylbutyl 2-[acetyl(methyl)amino]acetate?
The InChIKey is FIWLJEPEKOFPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)5-6-14-10(13)7-11(4)9(3)12/h8H,5-7H2,1-4H3.
What are the key properties of 3-methylbutyl 2-[acetyl(methyl)amino]acetate?
3-methylbutyl 2-[acetyl(methyl)amino]acetate has a molecular weight of 201.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-[acetyl(methyl)amino]acetate is sourced from PubChem (CID 78863232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).