methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate

C14H30N2O4 — CID 64710865

IUPACmethyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate
SMILESCOCCCN(CCOC)C(C)CC(C)(N)C(=O)OC
InChIInChI=1S/C14H30N2O4/c1-12(11-14(2,15)13(17)20-5)16(8-10-19-4)7-6-9-18-3/h12H,6-11,15H2,1-5H3
InChIKeyHQCPIZZCJJXDBG-UHFFFAOYSA-N
MW290.40 g/mol
LogP0.64
Rot. Bonds11

About methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate

methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate (PubChem CID 64710865) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate
PubChem CID64710865
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Namemethyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate
SMILESCOCCCN(CCOC)C(C)CC(C)(N)C(=O)OC
InChIInChI=1S/C14H30N2O4/c1-12(11-14(2,15)13(17)20-5)16(8-10-19-4)7-6-9-18-3/h12H,6-11,15H2,1-5H3
InChIKeyHQCPIZZCJJXDBG-UHFFFAOYSA-N
XLogP0.64
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 50.64
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

2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64709529
methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
CID 64725725
methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate
CID 64725651
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
CID 63584376
methyl 2-amino-2-methyl-4-[methyl(pentan-2-yl)amino]pentanoate
CID 64710385
4-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanamide
CID 64711225
methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64703757
ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate
CID 82940420
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one
CID 106801251
methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate
CID 64711469
methyl 2-amino-4-[cyclopropyl(2-methylpropyl)amino]-2-methylpentanoate
CID 64709489

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate (CID 64710865) is methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate is COCCCN(CCOC)C(C)CC(C)(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate?
The InChIKey is HQCPIZZCJJXDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-12(11-14(2,15)13(17)20-5)16(8-10-19-4)7-6-9-18-3/h12H,6-11,15H2,1-5H3.
What are the key properties of methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate?
methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate has a molecular weight of 290.40 g/mol, XLogP of 0.64, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate is sourced from PubChem (CID 64710865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).