ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate

C13H28N2O3 — CID 63053393

IUPACethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(CCOC)CC(C)C
InChIInChI=1S/C13H28N2O3/c1-5-18-13(16)12(14)6-7-15(8-9-17-4)10-11(2)3/h11-12H,5-10,14H2,1-4H3
InChIKeyYODZOYMIHDKJKU-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.87
Rot. Bonds10

About ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate

ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate (PubChem CID 63053393) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate
PubChem CID63053393
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Nameethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(CCOC)CC(C)C
InChIInChI=1S/C13H28N2O3/c1-5-18-13(16)12(14)6-7-15(8-9-17-4)10-11(2)3/h11-12H,5-10,14H2,1-4H3
InChIKeyYODZOYMIHDKJKU-UHFFFAOYSA-N
XLogP0.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
CID 63055687
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
ethyl 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]butanoate
CID 63053382
2-amino-4-[bis(2-methoxyethyl)amino]butanamide
CID 63053778
2-amino-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 63054468
1-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butan-2-ol
CID 64822021
N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81079086
ethyl 4-[bis(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoate
CID 63055477
1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol
CID 62624635
2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]butanamide
CID 63055154
2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide
CID 63055708
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
CID 63029409

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate?
The IUPAC name of ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate (CID 63053393) is ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate?
The canonical SMILES for ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate is CCOC(=O)C(N)CCN(CCOC)CC(C)C.
What is the InChIKey of ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate?
The InChIKey is YODZOYMIHDKJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-18-13(16)12(14)6-7-15(8-9-17-4)10-11(2)3/h11-12H,5-10,14H2,1-4H3.
What are the key properties of ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate?
ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate has a molecular weight of 260.38 g/mol, XLogP of 0.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate is sourced from PubChem (CID 63053393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).