ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate

C13H28N2O3 — CID 63055186

IUPACethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(CCOC)C(C)CC
InChIInChI=1S/C13H28N2O3/c1-5-11(3)15(9-10-17-4)8-7-12(14)13(16)18-6-2/h11-12H,5-10,14H2,1-4H3
InChIKeyJYNLCKSVDBUHOC-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.01
Rot. Bonds10

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

ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate (PubChem CID 63055186) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
PubChem CID63055186
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Nameethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(CCOC)C(C)CC
InChIInChI=1S/C13H28N2O3/c1-5-11(3)15(9-10-17-4)8-7-12(14)13(16)18-6-2/h11-12H,5-10,14H2,1-4H3
InChIKeyJYNLCKSVDBUHOC-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]butanoate
CID 63053382
ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate
CID 63053393
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
CID 83041497
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
CID 63054650
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
CID 63029409
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one
CID 106801251
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62645246

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate?
The IUPAC name of ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate (CID 63055186) is ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate?
The canonical SMILES for ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate is CCOC(=O)C(N)CCN(CCOC)C(C)CC.
What is the InChIKey of ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate?
The InChIKey is JYNLCKSVDBUHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-11(3)15(9-10-17-4)8-7-12(14)13(16)18-6-2/h11-12H,5-10,14H2,1-4H3.
What are the key properties of ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate?
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate has a molecular weight of 260.38 g/mol, XLogP of 1.01, 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-[butan-2-yl(2-methoxyethyl)amino]butanoate is sourced from PubChem (CID 63055186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).