methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate

C11H23NO2 — CID 104827622

IUPACmethyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
SMILESCCC(NC(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-7-9(10(13)14-6)12-8(2)11(3,4)5/h8-9,12H,7H2,1-6H3
InChIKeyJTZCGGXOPLGANK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds4

About methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate

methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate (PubChem CID 104827622) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
PubChem CID104827622
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
SMILESCCC(NC(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-7-9(10(13)14-6)12-8(2)11(3,4)5/h8-9,12H,7H2,1-6H3
InChIKeyJTZCGGXOPLGANK-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid
CID 115353276
methyl 2-(4-methylhexan-2-ylamino)butanoate
CID 115353461
methyl 2-[1-(4-tert-butylphenyl)ethylamino]butanoate
CID 115320207
methyl 2-(2,2,3-trimethylbutylamino)butanoate
CID 107302680
methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate
CID 65338075
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate
CID 123166655
methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate
CID 103265262
2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid
CID 115352711
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
methyl (2S)-2-acetamidobutanoate
CID 11084154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate?
The IUPAC name of methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate (CID 104827622) is methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate.
What is the SMILES notation for methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate?
The canonical SMILES for methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate is CCC(NC(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate?
The InChIKey is JTZCGGXOPLGANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7-9(10(13)14-6)12-8(2)11(3,4)5/h8-9,12H,7H2,1-6H3.
What are the key properties of methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate?
methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate has a molecular weight of 201.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate is sourced from PubChem (CID 104827622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).