methyl 2,4,4-trimethyl-2-(methylamino)pentanoate

C10H21NO2 — CID 134267857

IUPACmethyl 2,4,4-trimethyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)(C)C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-9(2,3)7-10(4,11-5)8(12)13-6/h11H,7H2,1-6H3
InChIKeyJWZANBOFOQAXOW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds3

About methyl 2,4,4-trimethyl-2-(methylamino)pentanoate

methyl 2,4,4-trimethyl-2-(methylamino)pentanoate (PubChem CID 134267857) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 2,4,4-trimethyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2,4,4-trimethyl-2-(methylamino)pentanoate
PubChem CID134267857
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 2,4,4-trimethyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)(C)C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-9(2,3)7-10(4,11-5)8(12)13-6/h11H,7H2,1-6H3
InChIKeyJWZANBOFOQAXOW-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2,4,4-trimethyl-2-(methylamino)pentanoate 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

methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
CID 126976728
2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate
CID 143746501
methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
methyl 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)propanoate
CID 107771732
methyl 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanoate
CID 107771758
methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 64711400
methyl 2-methyl-2-(methylamino)-4-(3-methylbutoxy)pentanoate
CID 64706329
methyl 2-methyl-2-(methylamino)-4-(3-methylbutylsulfanyl)butanoate
CID 107756180
methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate
CID 59377336
methyl 2-methyl-2-(2-methylhydrazinyl)propanoate
CID 166887564
methyl 2-methyl-2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711376
methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate
CID 64746760

Frequently Asked Questions

What is the IUPAC name of methyl 2,4,4-trimethyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 2,4,4-trimethyl-2-(methylamino)pentanoate (CID 134267857) is methyl 2,4,4-trimethyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 2,4,4-trimethyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 2,4,4-trimethyl-2-(methylamino)pentanoate is CNC(C)(CC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2,4,4-trimethyl-2-(methylamino)pentanoate?
The InChIKey is JWZANBOFOQAXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,3)7-10(4,11-5)8(12)13-6/h11H,7H2,1-6H3.
What are the key properties of methyl 2,4,4-trimethyl-2-(methylamino)pentanoate?
methyl 2,4,4-trimethyl-2-(methylamino)pentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4,4-trimethyl-2-(methylamino)pentanoate is sourced from PubChem (CID 134267857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).