methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate

C16H30N2O3 — CID 63712139

IUPACmethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
SMILESCOC(=O)C(C)(CCN(C)CC1CCCOC1)NC1CC1
InChIInChI=1S/C16H30N2O3/c1-16(15(19)20-3,17-14-6-7-14)8-9-18(2)11-13-5-4-10-21-12-13/h13-14,17H,4-12H2,1-3H3
InChIKeyXAINPMFJGIWTHZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.42
Rot. Bonds8

About methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate

methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate (PubChem CID 63712139) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
PubChem CID63712139
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
SMILESCOC(=O)C(C)(CCN(C)CC1CCCOC1)NC1CC1
InChIInChI=1S/C16H30N2O3/c1-16(15(19)20-3,17-14-6-7-14)8-9-18(2)11-13-5-4-10-21-12-13/h13-14,17H,4-12H2,1-3H3
InChIKeyXAINPMFJGIWTHZ-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate with MolForge

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Related Compounds

methyl 2-(ethylamino)-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711958
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
CID 55226445
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
CID 82743969
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711102
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropanoate
CID 62861732
ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711443
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
CID 63864868
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate (CID 63712139) is methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate is COC(=O)C(C)(CCN(C)CC1CCCOC1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate?
The InChIKey is XAINPMFJGIWTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(15(19)20-3,17-14-6-7-14)8-9-18(2)11-13-5-4-10-21-12-13/h13-14,17H,4-12H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate?
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate has a molecular weight of 298.43 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate is sourced from PubChem (CID 63712139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).