methyl 2-amino-2-methylpentanoate

C7H15NO2 — CID 14168821

IUPACmethyl 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-4-5-7(2,8)6(9)10-3/h4-5,8H2,1-3H3
InChIKeyUCEMIMRGLBPPLW-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds3

About methyl 2-amino-2-methylpentanoate

methyl 2-amino-2-methylpentanoate (PubChem CID 14168821) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 2-amino-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methylpentanoate
PubChem CID14168821
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-4-5-7(2,8)6(9)10-3/h4-5,8H2,1-3H3
InChIKeyUCEMIMRGLBPPLW-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methylpentanoate?
The IUPAC name of methyl 2-amino-2-methylpentanoate (CID 14168821) is methyl 2-amino-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-2-methylpentanoate is CCCC(C)(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-methylpentanoate?
The InChIKey is UCEMIMRGLBPPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-5-7(2,8)6(9)10-3/h4-5,8H2,1-3H3.
What are the key properties of methyl 2-amino-2-methylpentanoate?
methyl 2-amino-2-methylpentanoate has a molecular weight of 145.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methylpentanoate is sourced from PubChem (CID 14168821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).