methane;propan-2-yl 2-methyl-2-(methylamino)propanoate

C9H21NO2 — CID 167683486

IUPACmethane;propan-2-yl 2-methyl-2-(methylamino)propanoate
SMILESC.CNC(C)(C)C(=O)OC(C)C
InChIInChI=1S/C8H17NO2.CH4/c1-6(2)11-7(10)8(3,4)9-5;/h6,9H,1-5H3;1H4
InChIKeyVWLCJLNCVAYWRW-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.57
Rot. Bonds3

About methane;propan-2-yl 2-methyl-2-(methylamino)propanoate

methane;propan-2-yl 2-methyl-2-(methylamino)propanoate (PubChem CID 167683486) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is methane;propan-2-yl 2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethane;propan-2-yl 2-methyl-2-(methylamino)propanoate
PubChem CID167683486
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Namemethane;propan-2-yl 2-methyl-2-(methylamino)propanoate
SMILESC.CNC(C)(C)C(=O)OC(C)C
InChIInChI=1S/C8H17NO2.CH4/c1-6(2)11-7(10)8(3,4)9-5;/h6,9H,1-5H3;1H4
InChIKeyVWLCJLNCVAYWRW-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
propan-2-yl 2-amino-2-sulfanylpropanoate
CID 123998994
tert-butyl 2-methyl-2-(methylamino)propanoate
CID 20649466
propan-2-yl 2,2-dichloro-3-methylbutanoate
CID 57232967
dipropan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 139989252
propan-2-yl 2,2,2-tribromoacetate
CID 6432844
propan-2-yl 2-amino-2,3-dimethylbutanoate
CID 18780772
propan-2-yl 2-amino-2-methylpropanoate;propan-2-yl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 159382523
propan-2-yl 2-acetyl-3-oxo-2-propan-2-yloxybutanoate
CID 175257909
propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate
CID 173451742
propan-2-yl 2-methyl-2-propylpentanoate
CID 118411405
propan-2-yl 2-ethyl-2,3-dimethylbutanoate
CID 87568455

Frequently Asked Questions

What is the IUPAC name of methane;propan-2-yl 2-methyl-2-(methylamino)propanoate?
The IUPAC name of methane;propan-2-yl 2-methyl-2-(methylamino)propanoate (CID 167683486) is methane;propan-2-yl 2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for methane;propan-2-yl 2-methyl-2-(methylamino)propanoate?
The canonical SMILES for methane;propan-2-yl 2-methyl-2-(methylamino)propanoate is C.CNC(C)(C)C(=O)OC(C)C.
What is the InChIKey of methane;propan-2-yl 2-methyl-2-(methylamino)propanoate?
The InChIKey is VWLCJLNCVAYWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.CH4/c1-6(2)11-7(10)8(3,4)9-5;/h6,9H,1-5H3;1H4.
What are the key properties of methane;propan-2-yl 2-methyl-2-(methylamino)propanoate?
methane;propan-2-yl 2-methyl-2-(methylamino)propanoate has a molecular weight of 175.27 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 methane;propan-2-yl 2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 167683486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).