methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate

C13H27NO4 — CID 63685671

IUPACmethyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate
SMILESCCCOCCOCC(C)(NC(C)C)C(=O)OC
InChIInChI=1S/C13H27NO4/c1-6-7-17-8-9-18-10-13(4,12(15)16-5)14-11(2)3/h11,14H,6-10H2,1-5H3
InChIKeyHGRSGPUIRPMPRQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.36
Rot. Bonds10

About methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate

methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate (PubChem CID 63685671) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate
PubChem CID63685671
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Namemethyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate
SMILESCCCOCCOCC(C)(NC(C)C)C(=O)OC
InChIInChI=1S/C13H27NO4/c1-6-7-17-8-9-18-10-13(4,12(15)16-5)14-11(2)3/h11,14H,6-10H2,1-5H3
InChIKeyHGRSGPUIRPMPRQ-UHFFFAOYSA-N
XLogP1.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.36
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-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate
CID 106448960
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270
2-methyl-2-(methylamino)-3-(2-propoxyethoxy)propanamide
CID 63684948
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate
CID 63686600
methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64727339
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanoate
CID 115942549
methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709198
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64711212
methyl 2-methyl-2-(propan-2-ylamino)-4-propan-2-ylsulfanylpentanoate
CID 64709746
methyl 2-methyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 107755800
3-[2-[[3-oxo-3-(propylamino)propoxy]methyl]-2-(propan-2-ylamino)-3-propoxypropoxy]-N-propylpropanamide
CID 178049904

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate?
The IUPAC name of methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate (CID 63685671) is methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate?
The canonical SMILES for methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate is CCCOCCOCC(C)(NC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate?
The InChIKey is HGRSGPUIRPMPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-6-7-17-8-9-18-10-13(4,12(15)16-5)14-11(2)3/h11,14H,6-10H2,1-5H3.
What are the key properties of methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate?
methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate has a molecular weight of 261.36 g/mol, XLogP of 1.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate is sourced from PubChem (CID 63685671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).