methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate

C12H26N2O2 — CID 63055628

IUPACmethyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate
SMILESCCCC(C)N(C)CCC(NC)C(=O)OC
InChIInChI=1S/C12H26N2O2/c1-6-7-10(2)14(4)9-8-11(13-3)12(15)16-5/h10-11,13H,6-9H2,1-5H3
InChIKeySYRWBDZLXXYSGY-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.26
Rot. Bonds8

About methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate

methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate (PubChem CID 63055628) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate
PubChem CID63055628
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namemethyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate
SMILESCCCC(C)N(C)CCC(NC)C(=O)OC
InChIInChI=1S/C12H26N2O2/c1-6-7-10(2)14(4)9-8-11(13-3)12(15)16-5/h10-11,13H,6-9H2,1-5H3
InChIKeySYRWBDZLXXYSGY-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63029828
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate
CID 55143354
methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate
CID 63028145
4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
CID 63054736
methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
CID 63029585
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
methyl 2-(ethylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanoate
CID 63053083
methyl 2-(methylamino)-4-(2-methylpentoxy)butanoate
CID 103284997
methyl 4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 63055174
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
CID 55143734
methyl 2-(methylamino)-4-(N-methylanilino)butanoate
CID 63029346

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate?
The IUPAC name of methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate (CID 63055628) is methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate.
What is the SMILES notation for methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate?
The canonical SMILES for methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate is CCCC(C)N(C)CCC(NC)C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate?
The InChIKey is SYRWBDZLXXYSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-7-10(2)14(4)9-8-11(13-3)12(15)16-5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate?
methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate has a molecular weight of 230.35 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate is sourced from PubChem (CID 63055628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).