methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate

C10H21NO2 — CID 43726051

IUPACmethyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(C)NC(C)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)8(3)11-10(4,5)9(12)13-6/h7-8,11H,1-6H3
InChIKeyOQQYJUJUGKFYFN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate

methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate (PubChem CID 43726051) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
PubChem CID43726051
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(C)NC(C)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)8(3)11-10(4,5)9(12)13-6/h7-8,11H,1-6H3
InChIKeyOQQYJUJUGKFYFN-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid
CID 82238205
methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate
CID 43726079
methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
methyl 2-methyl-2-(sulfanylamino)propanoate
CID 59695497
methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
CID 79011701
methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate
CID 43725782
methyl 2-[1-(4-iodophenyl)ethylamino]-2-methylpropanoate
CID 43787152
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791
methyl 2-methyl-2-(2-methylhydrazinyl)propanoate
CID 166887564
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
methyl 2-(heptan-3-ylamino)-2-methylpropanoate
CID 63944358

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate (CID 43726051) is methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate is COC(=O)C(C)(C)NC(C)C(C)C.
What is the InChIKey of methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate?
The InChIKey is OQQYJUJUGKFYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)8(3)11-10(4,5)9(12)13-6/h7-8,11H,1-6H3.
What are the key properties of methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate?
methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate is sourced from PubChem (CID 43726051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).