methyl 5-amino-4-methoxy-4-methylpentanoate

C8H17NO3 — CID 58426741

IUPACmethyl 5-amino-4-methoxy-4-methylpentanoate
SMILESCOC(=O)CCC(C)(CN)OC
InChIInChI=1S/C8H17NO3/c1-8(6-9,12-3)5-4-7(10)11-2/h4-6,9H2,1-3H3
InChIKeyZHJNDKBRYZTZFI-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.30
Rot. Bonds5

About methyl 5-amino-4-methoxy-4-methylpentanoate

methyl 5-amino-4-methoxy-4-methylpentanoate (PubChem CID 58426741) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl 5-amino-4-methoxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 5-amino-4-methoxy-4-methylpentanoate
PubChem CID58426741
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl 5-amino-4-methoxy-4-methylpentanoate
SMILESCOC(=O)CCC(C)(CN)OC
InChIInChI=1S/C8H17NO3/c1-8(6-9,12-3)5-4-7(10)11-2/h4-6,9H2,1-3H3
InChIKeyZHJNDKBRYZTZFI-UHFFFAOYSA-N
XLogP0.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-amino-4-methoxy-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-methoxy-4-methylpentanoate?
The IUPAC name of methyl 5-amino-4-methoxy-4-methylpentanoate (CID 58426741) is methyl 5-amino-4-methoxy-4-methylpentanoate.
What is the SMILES notation for methyl 5-amino-4-methoxy-4-methylpentanoate?
The canonical SMILES for methyl 5-amino-4-methoxy-4-methylpentanoate is COC(=O)CCC(C)(CN)OC.
What is the InChIKey of methyl 5-amino-4-methoxy-4-methylpentanoate?
The InChIKey is ZHJNDKBRYZTZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(6-9,12-3)5-4-7(10)11-2/h4-6,9H2,1-3H3.
What are the key properties of methyl 5-amino-4-methoxy-4-methylpentanoate?
methyl 5-amino-4-methoxy-4-methylpentanoate has a molecular weight of 175.23 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-methoxy-4-methylpentanoate is sourced from PubChem (CID 58426741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).