ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate

C12H26N2O2 — CID 63028830

IUPACethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
SMILESCCCN(CC)CCC(NC)C(=O)OCC
InChIInChI=1S/C12H26N2O2/c1-5-9-14(6-2)10-8-11(13-4)12(15)16-7-3/h11,13H,5-10H2,1-4H3
InChIKeyRHDYDLOKKYTIPO-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.26
Rot. Bonds9

About ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate

ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate (PubChem CID 63028830) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
PubChem CID63028830
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nameethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
SMILESCCCN(CC)CCC(NC)C(=O)OCC
InChIInChI=1S/C12H26N2O2/c1-5-9-14(6-2)10-8-11(13-4)12(15)16-7-3/h11,13H,5-10H2,1-4H3
InChIKeyRHDYDLOKKYTIPO-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate
CID 55143357
methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate
CID 63028145
methyl 4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 63055174
ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63029828
methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
CID 63029585
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate
CID 55143354
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084
ethyl (2S)-2-(methylamino)-5-oxohexanoate
CID 118582584
ethyl (2S)-2-(methylamino)-5-oxopentanoate
CID 90464731
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434
ethyl (2S)-2-anilino-4-(diethylamino)butanoate
CID 125470066
ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate
CID 79482373

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate (CID 63028830) is ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate is CCCN(CC)CCC(NC)C(=O)OCC.
What is the InChIKey of ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate?
The InChIKey is RHDYDLOKKYTIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-9-14(6-2)10-8-11(13-4)12(15)16-7-3/h11,13H,5-10H2,1-4H3.
What are the key properties of ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate?
ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate has a molecular weight of 230.35 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate is sourced from PubChem (CID 63028830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).