methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate

C10H19NO2 — CID 115772286

IUPACmethyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C1CCC1
InChIInChI=1S/C10H19NO2/c1-8(10(12)13-3)7-11(2)9-5-4-6-9/h8-9H,4-7H2,1-3H3
InChIKeyQMPZSRWCLJLRGS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds4

About methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate

methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate (PubChem CID 115772286) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
PubChem CID115772286
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C1CCC1
InChIInChI=1S/C10H19NO2/c1-8(10(12)13-3)7-11(2)9-5-4-6-9/h8-9H,4-7H2,1-3H3
InChIKeyQMPZSRWCLJLRGS-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964383
methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
CID 54880256
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoate
CID 62977248
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906
methyl 2-acetamido-3-[methyl(oxan-4-yl)amino]propanoate
CID 65444239
methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964543
methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate
CID 79397246
benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
CID 106484239
3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid
CID 79121669
2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
CID 64581715
(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine
CID 104873486

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate (CID 115772286) is methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate is COC(=O)C(C)CN(C)C1CCC1.
What is the InChIKey of methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate?
The InChIKey is QMPZSRWCLJLRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(10(12)13-3)7-11(2)9-5-4-6-9/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate?
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 115772286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).