methyl 2-(2,2,3-trimethylbutylamino)butanoate

C12H25NO2 — CID 107302680

IUPACmethyl 2-(2,2,3-trimethylbutylamino)butanoate
SMILESCCC(NCC(C)(C)C(C)C)C(=O)OC
InChIInChI=1S/C12H25NO2/c1-7-10(11(14)15-6)13-8-12(4,5)9(2)3/h9-10,13H,7-8H2,1-6H3
InChIKeyLNHNXKUDDSOIDZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.21
Rot. Bonds6

About methyl 2-(2,2,3-trimethylbutylamino)butanoate

methyl 2-(2,2,3-trimethylbutylamino)butanoate (PubChem CID 107302680) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl 2-(2,2,3-trimethylbutylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(2,2,3-trimethylbutylamino)butanoate
PubChem CID107302680
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl 2-(2,2,3-trimethylbutylamino)butanoate
SMILESCCC(NCC(C)(C)C(C)C)C(=O)OC
InChIInChI=1S/C12H25NO2/c1-7-10(11(14)15-6)13-8-12(4,5)9(2)3/h9-10,13H,7-8H2,1-6H3
InChIKeyLNHNXKUDDSOIDZ-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,2-dimethylheptylamino)butanoate
CID 113292642
3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid
CID 115352380
methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
CID 104827622
tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
CID 102670947
(2R)-3-[[[(2S)-1-methoxy-1-oxobutan-2-yl]amino]methyl]-2-methylhexanoic acid
CID 87372781
ethyl 3-oxo-3-(2,2,3-trimethylbutylamino)propanoate
CID 115138675
methyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoate
CID 115353516
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
tert-butyl (2S)-2-[[(2S)-2-aminobutyl]amino]butanoate
CID 170555643
methyl 2-(2,3-dimethoxypropylamino)butanoate
CID 107302671

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,3-trimethylbutylamino)butanoate?
The IUPAC name of methyl 2-(2,2,3-trimethylbutylamino)butanoate (CID 107302680) is methyl 2-(2,2,3-trimethylbutylamino)butanoate.
What is the SMILES notation for methyl 2-(2,2,3-trimethylbutylamino)butanoate?
The canonical SMILES for methyl 2-(2,2,3-trimethylbutylamino)butanoate is CCC(NCC(C)(C)C(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(2,2,3-trimethylbutylamino)butanoate?
The InChIKey is LNHNXKUDDSOIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-10(11(14)15-6)13-8-12(4,5)9(2)3/h9-10,13H,7-8H2,1-6H3.
What are the key properties of methyl 2-(2,2,3-trimethylbutylamino)butanoate?
methyl 2-(2,2,3-trimethylbutylamino)butanoate has a molecular weight of 215.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,3-trimethylbutylamino)butanoate is sourced from PubChem (CID 107302680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).