methyl 4-(tert-butylamino)-3-methylbutanoate

C10H21NO2 — CID 13402644

IUPACmethyl 4-(tert-butylamino)-3-methylbutanoate
SMILESCOC(=O)CC(C)CNC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-8(6-9(12)13-5)7-11-10(2,3)4/h8,11H,6-7H2,1-5H3
InChIKeyVGUAUNZLGQKVHX-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds4

About methyl 4-(tert-butylamino)-3-methylbutanoate

methyl 4-(tert-butylamino)-3-methylbutanoate (PubChem CID 13402644) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 4-(tert-butylamino)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-(tert-butylamino)-3-methylbutanoate
PubChem CID13402644
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 4-(tert-butylamino)-3-methylbutanoate
SMILESCOC(=O)CC(C)CNC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-8(6-9(12)13-5)7-11-10(2,3)4/h8,11H,6-7H2,1-5H3
InChIKeyVGUAUNZLGQKVHX-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-amino-4-(tert-butylamino)butanoate
CID 105443253
methyl (3S)-5-chloro-3-methyl-5-oxopentanoate
CID 86665257
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
methyl 3-methyl-5-oxohexanoate
CID 13198405
methyl 4-iodo-3-methylbutanoate
CID 59650925
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
methyl 5-iodo-3-methylpentanoate
CID 19767765
methyl 3,20,20-trimethylhenicosanoate
CID 568121
methyl 5-methoxy-3-methyl-5-sulfanylidenepentanoate
CID 53471938
methyl 3,4-dimethylpentanoate
CID 554058
methyl 4-cyano-3-methylbutanoate
CID 83479099
azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492

Frequently Asked Questions

What is the IUPAC name of methyl 4-(tert-butylamino)-3-methylbutanoate?
The IUPAC name of methyl 4-(tert-butylamino)-3-methylbutanoate (CID 13402644) is methyl 4-(tert-butylamino)-3-methylbutanoate.
What is the SMILES notation for methyl 4-(tert-butylamino)-3-methylbutanoate?
The canonical SMILES for methyl 4-(tert-butylamino)-3-methylbutanoate is COC(=O)CC(C)CNC(C)(C)C.
What is the InChIKey of methyl 4-(tert-butylamino)-3-methylbutanoate?
The InChIKey is VGUAUNZLGQKVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(6-9(12)13-5)7-11-10(2,3)4/h8,11H,6-7H2,1-5H3.
What are the key properties of methyl 4-(tert-butylamino)-3-methylbutanoate?
methyl 4-(tert-butylamino)-3-methylbutanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(tert-butylamino)-3-methylbutanoate is sourced from PubChem (CID 13402644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).