methyl 3-(tert-butylamino)-2-methylbutanoate

C10H21NO2 — CID 103718941

IUPACmethyl 3-(tert-butylamino)-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(9(12)13-6)8(2)11-10(3,4)5/h7-8,11H,1-6H3
InChIKeySEDGLTMFESIXKC-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds3

About methyl 3-(tert-butylamino)-2-methylbutanoate

methyl 3-(tert-butylamino)-2-methylbutanoate (PubChem CID 103718941) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 3-(tert-butylamino)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-(tert-butylamino)-2-methylbutanoate
PubChem CID103718941
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 3-(tert-butylamino)-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(9(12)13-6)8(2)11-10(3,4)5/h7-8,11H,1-6H3
InChIKeySEDGLTMFESIXKC-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Methyl 3-methyl-3-(methylamino)butanoate
CID 23348513
N-(1,1-Dimethylethyl)-beta-alanine methyl ester
CID 13530187
Ethyl 3-(propylamino)butanoate
CID 242423
Ethyl 3-(tert-butylamino)propanoate
CID 3804063
Ethyl 3-methyl-3-(methylamino)butanoate hydrochloride
CID 71757651
Methyl 3-(butylamino)-2-methylpropanoate
CID 240905
3-(2-Methoxycarbonyl-propylamino)-butyric acid ethyl ester
CID 10847117
methyl (3S)-3-(methylamino)butanoate
CID 58782001
Ethyl 3-methyl-3-(methylamino)butanoate
CID 19088476
methyl (3R)-3-(methylamino)butanoate
CID 92446477
Fluoro 2-[(propan-2-ylamino)methyl]butanoate
CID 174631551
Ethyl 3-(propan-2-ylamino)butanoate
CID 9989709

Frequently Asked Questions

What is the IUPAC name of methyl 3-(tert-butylamino)-2-methylbutanoate?
The IUPAC name of methyl 3-(tert-butylamino)-2-methylbutanoate (CID 103718941) is methyl 3-(tert-butylamino)-2-methylbutanoate.
What is the SMILES notation for methyl 3-(tert-butylamino)-2-methylbutanoate?
The canonical SMILES for methyl 3-(tert-butylamino)-2-methylbutanoate is COC(=O)C(C)C(C)NC(C)(C)C.
What is the InChIKey of methyl 3-(tert-butylamino)-2-methylbutanoate?
The InChIKey is SEDGLTMFESIXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(9(12)13-6)8(2)11-10(3,4)5/h7-8,11H,1-6H3.
What are the key properties of methyl 3-(tert-butylamino)-2-methylbutanoate?
methyl 3-(tert-butylamino)-2-methylbutanoate has a molecular weight of 187.28 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 methyl 3-(tert-butylamino)-2-methylbutanoate is sourced from PubChem (CID 103718941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).