methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate

C15H29NO5 — CID 103404585

IUPACmethyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
SMILESCOCCOCCCOCCC(C)(NC1CC1)C(=O)OC
InChIInChI=1S/C15H29NO5/c1-15(14(17)19-3,16-13-5-6-13)7-10-20-8-4-9-21-12-11-18-2/h13,16H,4-12H2,1-3H3
InChIKeyYDFKHOWPCYDIFN-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.13
Rot. Bonds13

About methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate

methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate (PubChem CID 103404585) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
PubChem CID103404585
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Namemethyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
SMILESCOCCOCCCOCCC(C)(NC1CC1)C(=O)OC
InChIInChI=1S/C15H29NO5/c1-15(14(17)19-3,16-13-5-6-13)7-10-20-8-4-9-21-12-11-18-2/h13,16H,4-12H2,1-3H3
InChIKeyYDFKHOWPCYDIFN-UHFFFAOYSA-N
XLogP1.13
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
ethyl 2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]-2-methylpropanoate
CID 103404627
ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate
CID 103180037
ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
CID 115942513
2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
CID 103404521
2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoic acid
CID 112589171
methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275078
methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
CID 62385441
2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
CID 106666776
methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate
CID 81061381
methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
CID 103400749
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate (CID 103404585) is methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate is COCCOCCCOCCC(C)(NC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate?
The InChIKey is YDFKHOWPCYDIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-15(14(17)19-3,16-13-5-6-13)7-10-20-8-4-9-21-12-11-18-2/h13,16H,4-12H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate?
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate has a molecular weight of 303.40 g/mol, XLogP of 1.13, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate is sourced from PubChem (CID 103404585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).