methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate

C13H27NO4 — CID 63686600

IUPACmethyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate
SMILESCCCOCCOCCCCC(C)(N)C(=O)OC
InChIInChI=1S/C13H27NO4/c1-4-8-17-10-11-18-9-6-5-7-13(2,14)12(15)16-3/h4-11,14H2,1-3H3
InChIKeyJJBMJNNFPMPZJD-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.49
Rot. Bonds11

About methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate

methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate (PubChem CID 63686600) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate
PubChem CID63686600
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Namemethyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate
SMILESCCCOCCOCCCCC(C)(N)C(=O)OC
InChIInChI=1S/C13H27NO4/c1-4-8-17-10-11-18-9-6-5-7-13(2,14)12(15)16-3/h4-11,14H2,1-3H3
InChIKeyJJBMJNNFPMPZJD-UHFFFAOYSA-N
XLogP1.49
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.49
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 (2R)-2-amino-2-methylhexanoate
CID 155453684
methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524
2-amino-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylhexanamide
CID 104565103
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate
CID 103178593
2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid
CID 106714362
2-(cyclopropylamino)-2-methyl-6-(2-propoxyethoxy)hexanamide
CID 63685314
methyl 2-amino-2-methyl-4-(3,3,3-trifluoropropoxy)butanoate
CID 82956754
methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate
CID 106487837
methyl 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexanoate
CID 55261313
methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
CID 66226341
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate?
The IUPAC name of methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate (CID 63686600) is methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate?
The canonical SMILES for methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate is CCCOCCOCCCCC(C)(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate?
The InChIKey is JJBMJNNFPMPZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-4-8-17-10-11-18-9-6-5-7-13(2,14)12(15)16-3/h4-11,14H2,1-3H3.
What are the key properties of methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate?
methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate has a molecular weight of 261.36 g/mol, XLogP of 1.49, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate is sourced from PubChem (CID 63686600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).