tert-butyl 2-amino-2-methylbutanoate

C9H19NO2 — CID 57065148

IUPACtert-butyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6-9(5,10)7(11)12-8(2,3)4/h6,10H2,1-5H3
InChIKeyYBIANLZYEWCDCW-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds2

About tert-butyl 2-amino-2-methylbutanoate

tert-butyl 2-amino-2-methylbutanoate (PubChem CID 57065148) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl 2-amino-2-methylbutanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-methylbutanoate
PubChem CID57065148
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6-9(5,10)7(11)12-8(2,3)4/h6,10H2,1-5H3
InChIKeyYBIANLZYEWCDCW-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 166066417
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
tert-butyl (2S)-2,5-diamino-2-methylpentanoate
CID 54077962
propyl (2S)-2-amino-2-methylbutanoate
CID 92977098
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylbutanoate
CID 112588233
tert-butyl 2-amino-2-methyl-3-propanoylperoxypropanoate
CID 175589299
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
CID 124571858
tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
CID 90204397
tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
CID 175133888
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
tert-butyl (2S)-2-amino-2-hydroxypentanoate
CID 172785158

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-methylbutanoate?
The IUPAC name of tert-butyl 2-amino-2-methylbutanoate (CID 57065148) is tert-butyl 2-amino-2-methylbutanoate.
What is the SMILES notation for tert-butyl 2-amino-2-methylbutanoate?
The canonical SMILES for tert-butyl 2-amino-2-methylbutanoate is CCC(C)(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-2-methylbutanoate?
The InChIKey is YBIANLZYEWCDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-9(5,10)7(11)12-8(2,3)4/h6,10H2,1-5H3.
What are the key properties of tert-butyl 2-amino-2-methylbutanoate?
tert-butyl 2-amino-2-methylbutanoate has a molecular weight of 173.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-methylbutanoate is sourced from PubChem (CID 57065148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).