methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate

C16H29NO4 — CID 62385441

IUPACmethyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
SMILESCOC(=O)C(C)(CCCOCC1CCOCC1)NC1CC1
InChIInChI=1S/C16H29NO4/c1-16(15(18)19-2,17-14-4-5-14)8-3-9-21-12-13-6-10-20-11-7-13/h13-14,17H,3-12H2,1-2H3
InChIKeyNCJWRGBZTKPWGJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.89
Rot. Bonds9

About methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate

methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate (PubChem CID 62385441) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
PubChem CID62385441
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
SMILESCOC(=O)C(C)(CCCOCC1CCOCC1)NC1CC1
InChIInChI=1S/C16H29NO4/c1-16(15(18)19-2,17-14-4-5-14)8-3-9-21-12-13-6-10-20-11-7-13/h13-14,17H,3-12H2,1-2H3
InChIKeyNCJWRGBZTKPWGJ-UHFFFAOYSA-N
XLogP1.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
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)-2-methyl-6-(oxolan-3-yloxy)hexanoate
CID 63557500
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
methyl 2-(cyclopropylamino)-2-methyl-6-(1,4-oxazepan-4-yl)hexanoate
CID 62973331
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62381935
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
CID 82743969
methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate
CID 81061381
2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64808670
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)pentanamide
CID 64721587
6-(oxan-4-ylmethoxy)hexan-2-one
CID 62382275
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63712139

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate (CID 62385441) is methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate is COC(=O)C(C)(CCCOCC1CCOCC1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate?
The InChIKey is NCJWRGBZTKPWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-16(15(18)19-2,17-14-4-5-14)8-3-9-21-12-13-6-10-20-11-7-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate?
methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate has a molecular weight of 299.41 g/mol, XLogP of 1.89, 9 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-5-(oxan-4-ylmethoxy)pentanoate is sourced from PubChem (CID 62385441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).