methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate

C12H26N2O2 — CID 63029585

IUPACmethyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
SMILESCCN(CCC(NC)C(=O)OC)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-6-14(9-10(2)3)8-7-11(13-4)12(15)16-5/h10-11,13H,6-9H2,1-5H3
InChIKeyWDYPOLHQIAXHPP-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.12
Rot. Bonds8

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

methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate (PubChem CID 63029585) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
PubChem CID63029585
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namemethyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
SMILESCCN(CCC(NC)C(=O)OC)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-6-14(9-10(2)3)8-7-11(13-4)12(15)16-5/h10-11,13H,6-9H2,1-5H3
InChIKeyWDYPOLHQIAXHPP-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63028616
methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate
CID 63028145
methyl 4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 63055174
ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
CID 63028830
methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate
CID 63690523
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63053033
methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate
CID 63055628
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid
CID 55143158
2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 55143527
ethyl 4-[bis(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoate
CID 63055477
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate?
The IUPAC name of methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate (CID 63029585) is methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate is CCN(CCC(NC)C(=O)OC)CC(C)C.
What is the InChIKey of methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate?
The InChIKey is WDYPOLHQIAXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-14(9-10(2)3)8-7-11(13-4)12(15)16-5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate?
methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate has a molecular weight of 230.35 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate is sourced from PubChem (CID 63029585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).