methyl 2-methyl-2-((111C)methylamino)propanoate

C6H13NO2 — CID 10534687

IUPACmethyl 2-methyl-2-((111C)methylamino)propanoate
SMILESCOC(=O)C(C)(C)N[11CH3]
InChIInChI=1S/C6H13NO2/c1-6(2,7-3)5(8)9-4/h7H,1-4H3/i3-1
InChIKeyUPRQJWQKAGNUDA-KTXUZGJCSA-N
MW130.18 g/mol
LogP0.16
Rot. Bonds2

About methyl 2-methyl-2-((111C)methylamino)propanoate

methyl 2-methyl-2-((111C)methylamino)propanoate (PubChem CID 10534687) has the molecular formula C6H13NO2 and a molecular weight of 130.18 g/mol. Its IUPAC name is methyl 2-methyl-2-((111C)methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-((111C)methylamino)propanoate
PubChem CID10534687
Molecular FormulaC6H13NO2
Molecular Weight130.18 g/mol
Exact Mass130.11
IUPAC Namemethyl 2-methyl-2-((111C)methylamino)propanoate
SMILESCOC(=O)C(C)(C)N[11CH3]
InChIInChI=1S/C6H13NO2/c1-6(2,7-3)5(8)9-4/h7H,1-4H3/i3-1
InChIKeyUPRQJWQKAGNUDA-KTXUZGJCSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-(Methylamino)isobutyric acid
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Methyl 2-methyl-2-(methylamino)propanoate
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(S)-2-(Methylamino)propanoic acid methyl ester
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Methyl 2-(tert-butylamino)acetate
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methyl (2S)-2-(methylamino)propanoate hydrochloride
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Methyl 2-formamido-2-methylpropanoate
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CID 23437773
Methyl 2-methyl-2-[(propan-2-yl)amino]propanoate
CID 43726111
Methyl 2-(ethylamino)-2-methylpropanoate
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Methyl 2-(ethylamino)propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-((111C)methylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-((111C)methylamino)propanoate (CID 10534687) is methyl 2-methyl-2-((111C)methylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-((111C)methylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-((111C)methylamino)propanoate is COC(=O)C(C)(C)N[11CH3].
What is the InChIKey of methyl 2-methyl-2-((111C)methylamino)propanoate?
The InChIKey is UPRQJWQKAGNUDA-KTXUZGJCSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,7-3)5(8)9-4/h7H,1-4H3/i3-1.
What are the key properties of methyl 2-methyl-2-((111C)methylamino)propanoate?
methyl 2-methyl-2-((111C)methylamino)propanoate has a molecular weight of 130.18 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-((111C)methylamino)propanoate is sourced from PubChem (CID 10534687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).