methyl 3-amino-2,2-dimethylbutanoate

C7H15NO2 — CID 13248577

IUPACmethyl 3-amino-2,2-dimethylbutanoate
SMILESCOC(=O)C(C)(C)C(C)N
InChIInChI=1S/C7H15NO2/c1-5(8)7(2,3)6(9)10-4/h5H,8H2,1-4H3
InChIKeyHYUUPJAZVLZSGD-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.53
Rot. Bonds2

About methyl 3-amino-2,2-dimethylbutanoate

methyl 3-amino-2,2-dimethylbutanoate (PubChem CID 13248577) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 3-amino-2,2-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 3-amino-2,2-dimethylbutanoate
PubChem CID13248577
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 3-amino-2,2-dimethylbutanoate
SMILESCOC(=O)C(C)(C)C(C)N
InChIInChI=1S/C7H15NO2/c1-5(8)7(2,3)6(9)10-4/h5H,8H2,1-4H3
InChIKeyHYUUPJAZVLZSGD-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2,2-dimethylbutanoate?
The IUPAC name of methyl 3-amino-2,2-dimethylbutanoate (CID 13248577) is methyl 3-amino-2,2-dimethylbutanoate.
What is the SMILES notation for methyl 3-amino-2,2-dimethylbutanoate?
The canonical SMILES for methyl 3-amino-2,2-dimethylbutanoate is COC(=O)C(C)(C)C(C)N.
What is the InChIKey of methyl 3-amino-2,2-dimethylbutanoate?
The InChIKey is HYUUPJAZVLZSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(8)7(2,3)6(9)10-4/h5H,8H2,1-4H3.
What are the key properties of methyl 3-amino-2,2-dimethylbutanoate?
methyl 3-amino-2,2-dimethylbutanoate has a molecular weight of 145.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2,2-dimethylbutanoate is sourced from PubChem (CID 13248577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).