3,3-dimethylbutyl 2-amino-2-methylpropanoate

C10H21NO2 — CID 66227109

IUPAC3,3-dimethylbutyl 2-amino-2-methylpropanoate
SMILESCC(C)(C)CCOC(=O)C(C)(C)N
InChIInChI=1S/C10H21NO2/c1-9(2,3)6-7-13-8(12)10(4,5)11/h6-7,11H2,1-5H3
InChIKeyGHBZJKOAVNTQBS-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.70
Rot. Bonds3

About 3,3-dimethylbutyl 2-amino-2-methylpropanoate

3,3-dimethylbutyl 2-amino-2-methylpropanoate (PubChem CID 66227109) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3,3-dimethylbutyl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name3,3-dimethylbutyl 2-amino-2-methylpropanoate
PubChem CID66227109
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3,3-dimethylbutyl 2-amino-2-methylpropanoate
SMILESCC(C)(C)CCOC(=O)C(C)(C)N
InChIInChI=1S/C10H21NO2/c1-9(2,3)6-7-13-8(12)10(4,5)11/h6-7,11H2,1-5H3
InChIKeyGHBZJKOAVNTQBS-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
propyl 2-amino-2-methylpropanoate;hydrochloride
CID 134284248
2-amino-2-methylpropanoic acid;azane;3,3-dimethylbutan-1-ol;3,3-dimethylbutyl 2-chloro-2-methylpropanoate
CID 165030486
ethyl 2-amino-2-methylpropanoate
CID 153428588
3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303
3-amino-3-(3,3-dimethylbutoxy)butan-2-one
CID 174294149
3,3-dimethylbutyl 3-oxobutanoate
CID 13081174
3,3-dimethylbutyl (2S)-2-amino-3,3-dimethylbutanoate
CID 66226213
methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
CID 66226341
3-(3,3-dimethylbutoxy)-3-oxopropane-1-sulfinic acid
CID 91015987
2-(3,3-dimethylbutoxy)-2-oxoethanesulfinate
CID 90949582
4-O-(3,3-dimethylbutyl) 1-O-methyl butanedioate
CID 59121663

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutyl 2-amino-2-methylpropanoate?
The IUPAC name of 3,3-dimethylbutyl 2-amino-2-methylpropanoate (CID 66227109) is 3,3-dimethylbutyl 2-amino-2-methylpropanoate.
What is the SMILES notation for 3,3-dimethylbutyl 2-amino-2-methylpropanoate?
The canonical SMILES for 3,3-dimethylbutyl 2-amino-2-methylpropanoate is CC(C)(C)CCOC(=O)C(C)(C)N.
What is the InChIKey of 3,3-dimethylbutyl 2-amino-2-methylpropanoate?
The InChIKey is GHBZJKOAVNTQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,3)6-7-13-8(12)10(4,5)11/h6-7,11H2,1-5H3.
What are the key properties of 3,3-dimethylbutyl 2-amino-2-methylpropanoate?
3,3-dimethylbutyl 2-amino-2-methylpropanoate has a molecular weight of 187.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutyl 2-amino-2-methylpropanoate is sourced from PubChem (CID 66227109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).