benzyl 2-(methoxyamino)-2-phenylacetate

C16H17NO3 — CID 139697903

IUPACbenzyl 2-(methoxyamino)-2-phenylacetate
SMILESCONC(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-19-17-15(14-10-6-3-7-11-14)16(18)20-12-13-8-4-2-5-9-13/h2-11,15,17H,12H2,1H3
InChIKeyZKMDZEOKJIESAQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.62
Rot. Bonds6

About benzyl 2-(methoxyamino)-2-phenylacetate

benzyl 2-(methoxyamino)-2-phenylacetate (PubChem CID 139697903) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is benzyl 2-(methoxyamino)-2-phenylacetate.

Molecular Properties

Compound Namebenzyl 2-(methoxyamino)-2-phenylacetate
PubChem CID139697903
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namebenzyl 2-(methoxyamino)-2-phenylacetate
SMILESCONC(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-19-17-15(14-10-6-3-7-11-14)16(18)20-12-13-8-4-2-5-9-13/h2-11,15,17H,12H2,1H3
InChIKeyZKMDZEOKJIESAQ-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl (2S)-2-(methoxyamino)butanedioate
CID 139710290
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate
CID 140987113
3-O-benzyl 1-O-methyl 2-aminopropanedioate;hydrochloride
CID 14861668
benzyl 2-hydroxy-3,3-dimethylbutanoate
CID 15070303
3-O-benzyl 1-O-methyl (2R)-2-benzylpropanedioate
CID 129391005
benzyl N-[2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
CID 73006787
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2R)-2,3-diamino-3-phenylpropanoate
CID 18653737
5-O-benzyl 1-O-methyl (2R,4R)-2,4-dibromopentanedioate
CID 125498068
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(methoxyamino)-2-phenylacetate?
The IUPAC name of benzyl 2-(methoxyamino)-2-phenylacetate (CID 139697903) is benzyl 2-(methoxyamino)-2-phenylacetate.
What is the SMILES notation for benzyl 2-(methoxyamino)-2-phenylacetate?
The canonical SMILES for benzyl 2-(methoxyamino)-2-phenylacetate is CONC(C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 2-(methoxyamino)-2-phenylacetate?
The InChIKey is ZKMDZEOKJIESAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-17-15(14-10-6-3-7-11-14)16(18)20-12-13-8-4-2-5-9-13/h2-11,15,17H,12H2,1H3.
What are the key properties of benzyl 2-(methoxyamino)-2-phenylacetate?
benzyl 2-(methoxyamino)-2-phenylacetate has a molecular weight of 271.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(methoxyamino)-2-phenylacetate is sourced from PubChem (CID 139697903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).