methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate

C15H29NO4 — CID 106666818

IUPACmethyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
SMILESCOC(=O)C(C)(CCOCCC(C)(C)OC)NC1CC1
InChIInChI=1S/C15H29NO4/c1-14(2,19-5)8-10-20-11-9-15(3,13(17)18-4)16-12-6-7-12/h12,16H,6-11H2,1-5H3
InChIKeyHYDAHZFIGNUEJS-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.89
Rot. Bonds10

About methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate

methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate (PubChem CID 106666818) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
PubChem CID106666818
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Namemethyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
SMILESCOC(=O)C(C)(CCOCCC(C)(C)OC)NC1CC1
InChIInChI=1S/C15H29NO4/c1-14(2,19-5)8-10-20-11-9-15(3,13(17)18-4)16-12-6-7-12/h12,16H,6-11H2,1-5H3
InChIKeyHYDAHZFIGNUEJS-UHFFFAOYSA-N
XLogP1.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
CID 106666776
methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666755
methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275078
ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
CID 115942513
2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoic acid
CID 112589171
methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
CID 62385441
methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate
CID 81061381
methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
CID 79184202
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanoate
CID 64706110
2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid
CID 82006585

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate (CID 106666818) is methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate is COC(=O)C(C)(CCOCCC(C)(C)OC)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate?
The InChIKey is HYDAHZFIGNUEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-14(2,19-5)8-10-20-11-9-15(3,13(17)18-4)16-12-6-7-12/h12,16H,6-11H2,1-5H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate?
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate has a molecular weight of 287.40 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate is sourced from PubChem (CID 106666818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).