methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate

C13H19NO3 — CID 13184082

IUPACmethyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate
SMILESCOC(=O)C(C)(C)CNOCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,12(15)16-3)10-14-17-9-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeyOQGBZQRCLHLANI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds6

About methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate

methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate (PubChem CID 13184082) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate
PubChem CID13184082
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate
SMILESCOC(=O)C(C)(C)CNOCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,12(15)16-3)10-14-17-9-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeyOQGBZQRCLHLANI-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate (CID 13184082) is methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate is COC(=O)C(C)(C)CNOCc1ccccc1.
What is the InChIKey of methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate?
The InChIKey is OQGBZQRCLHLANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,12(15)16-3)10-14-17-9-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate?
methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(phenylmethoxyamino)propanoate is sourced from PubChem (CID 13184082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).