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

C11H22N2O2 — CID 62861557

IUPACmethyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(N)CN(C)CC1CCC1
InChIInChI=1S/C11H22N2O2/c1-11(12,10(14)15-3)8-13(2)7-9-5-4-6-9/h9H,4-8,12H2,1-3H3
InChIKeyQHAQOIUDVVFBAX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds5

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

methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate (PubChem CID 62861557) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
PubChem CID62861557
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(N)CN(C)CC1CCC1
InChIInChI=1S/C11H22N2O2/c1-11(12,10(14)15-3)8-13(2)7-9-5-4-6-9/h9H,4-8,12H2,1-3H3
InChIKeyQHAQOIUDVVFBAX-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropanoate
CID 62861732
methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate
CID 63632356
ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate
CID 63236833
ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63927639
methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
CID 115233730
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid
CID 62861052
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
CID 55174419
methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate
CID 59262466
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672
1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79813469

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate (CID 62861557) is methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate is COC(=O)C(C)(N)CN(C)CC1CCC1.
What is the InChIKey of methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate?
The InChIKey is QHAQOIUDVVFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(12,10(14)15-3)8-13(2)7-9-5-4-6-9/h9H,4-8,12H2,1-3H3.
What are the key properties of methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate?
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 62861557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).