methyl 3-[methyl(pentan-2-yl)amino]propanoate

C10H21NO2 — CID 43430775

IUPACmethyl 3-[methyl(pentan-2-yl)amino]propanoate
SMILESCCCC(C)N(C)CCC(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-6-9(2)11(3)8-7-10(12)13-4/h9H,5-8H2,1-4H3
InChIKeyOFGLEEDDLJQSAU-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds6

About methyl 3-[methyl(pentan-2-yl)amino]propanoate

methyl 3-[methyl(pentan-2-yl)amino]propanoate (PubChem CID 43430775) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 3-[methyl(pentan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(pentan-2-yl)amino]propanoate
PubChem CID43430775
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 3-[methyl(pentan-2-yl)amino]propanoate
SMILESCCCC(C)N(C)CCC(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-6-9(2)11(3)8-7-10(12)13-4/h9H,5-8H2,1-4H3
InChIKeyOFGLEEDDLJQSAU-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139
methyl 3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]propanoate
CID 63948089
methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate
CID 62011281
methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate
CID 63055628
methyl 4-(dimethylamino)heptanoate
CID 116910261
methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate
CID 63382982
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90207709
methyl 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoate
CID 112692200
methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
CID 78959268
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
methyl 3-[1-cyanobutan-2-yl(methyl)amino]propanoate
CID 62013597
methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
CID 115688695

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(pentan-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(pentan-2-yl)amino]propanoate (CID 43430775) is methyl 3-[methyl(pentan-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(pentan-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(pentan-2-yl)amino]propanoate is CCCC(C)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[methyl(pentan-2-yl)amino]propanoate?
The InChIKey is OFGLEEDDLJQSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-9(2)11(3)8-7-10(12)13-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 3-[methyl(pentan-2-yl)amino]propanoate?
methyl 3-[methyl(pentan-2-yl)amino]propanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(pentan-2-yl)amino]propanoate is sourced from PubChem (CID 43430775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).