tert-butyl 3-amino-2,2-dimethylpropanoate

C9H19NO2 — CID 15430260

IUPACtert-butyl 3-amino-2,2-dimethylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)CN
InChIInChI=1S/C9H19NO2/c1-8(2,3)12-7(11)9(4,5)6-10/h6,10H2,1-5H3
InChIKeyMPMSYSWHOWKMSF-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.31
Rot. Bonds2

About tert-butyl 3-amino-2,2-dimethylpropanoate

tert-butyl 3-amino-2,2-dimethylpropanoate (PubChem CID 15430260) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl 3-amino-2,2-dimethylpropanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-2,2-dimethylpropanoate
PubChem CID15430260
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl 3-amino-2,2-dimethylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)CN
InChIInChI=1S/C9H19NO2/c1-8(2,3)12-7(11)9(4,5)6-10/h6,10H2,1-5H3
InChIKeyMPMSYSWHOWKMSF-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 3-aminopropanoate
CID 4192171
Tert-butyl 3-(methylamino)propanoate
CID 14760311
Tert-butyl 3-aminopropanoate hydrochloride
CID 16218890
1,1-Dimethylethyl (3R)-3-aminobutanoate
CID 2733826
tert-Butyl 3-amino-2-methylpropionate
CID 14557403
Cyclopropanecarboxylic acid, 1-(aminomethyl)-, 1,1-dimethylethyl ester
CID 53407163
Tert-butyl 3-amino-2-methylpropanoate hydrochloride
CID 122163749
2-Tert-butoxycarbonyl aminopropylamine
CID 57264254
tert-butyl (3S)-3-aminobutanoate
CID 7021083
Ethyl 3-amino-2,2-dimethylpropanoate hydrochloride
CID 18698433
Tert-butyl 3-amino-3-fluoropropanoate
CID 174340385
Tert-butyl 2-(aminomethyl)-3-fluoropropanoate
CID 105436896

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2,2-dimethylpropanoate?
The IUPAC name of tert-butyl 3-amino-2,2-dimethylpropanoate (CID 15430260) is tert-butyl 3-amino-2,2-dimethylpropanoate.
What is the SMILES notation for tert-butyl 3-amino-2,2-dimethylpropanoate?
The canonical SMILES for tert-butyl 3-amino-2,2-dimethylpropanoate is CC(C)(C)OC(=O)C(C)(C)CN.
What is the InChIKey of tert-butyl 3-amino-2,2-dimethylpropanoate?
The InChIKey is MPMSYSWHOWKMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2,3)12-7(11)9(4,5)6-10/h6,10H2,1-5H3.
What are the key properties of tert-butyl 3-amino-2,2-dimethylpropanoate?
tert-butyl 3-amino-2,2-dimethylpropanoate has a molecular weight of 173.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2,2-dimethylpropanoate is sourced from PubChem (CID 15430260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).