(2-amino-2-oxo-1-phenylmethoxyethyl) acetate

C11H13NO4 — CID 154369518

IUPAC(2-amino-2-oxo-1-phenylmethoxyethyl) acetate
SMILESCC(=O)OC(OCc1ccccc1)C(N)=O
InChIInChI=1S/C11H13NO4/c1-8(13)16-11(10(12)14)15-7-9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H2,12,14)
InChIKeyIWCJCDPPSQCFIF-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.58
Rot. Bonds5

About (2-amino-2-oxo-1-phenylmethoxyethyl) acetate

(2-amino-2-oxo-1-phenylmethoxyethyl) acetate (PubChem CID 154369518) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylmethoxyethyl) acetate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylmethoxyethyl) acetate
PubChem CID154369518
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2-amino-2-oxo-1-phenylmethoxyethyl) acetate
SMILESCC(=O)OC(OCc1ccccc1)C(N)=O
InChIInChI=1S/C11H13NO4/c1-8(13)16-11(10(12)14)15-7-9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H2,12,14)
InChIKeyIWCJCDPPSQCFIF-UHFFFAOYSA-N
XLogP0.58
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-acetyloxy-2-phenylmethoxyacetate
CID 101037708
[(1S)-1-phenylmethoxyethyl] acetate
CID 10965388
[(2S,3S)-3,4-diacetyloxy-2-phenylmethoxybutyl] acetate
CID 10806920
(2S)-4-methyl-2-phenylmethoxypentanamide
CID 141033880
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
(2R)-2-amino-2-phenylmethoxyacetamide
CID 129192787
(4-acetyloxy-2-fluoro-2-methyl-4-phenylmethoxybutyl) acetate
CID 67779035
benzyl acetate;carbamic acid
CID 159542161
benzyl acetate
CID 8785
[(2R)-1-nitropropan-2-yl] acetate;[(2R)-1-nitropropan-2-yl]oxymethylbenzene
CID 158058432
(1-methoxy-2-phenylmethoxy-3-propan-2-yloxypropyl) acetate
CID 19748418

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylmethoxyethyl) acetate?
The IUPAC name of (2-amino-2-oxo-1-phenylmethoxyethyl) acetate (CID 154369518) is (2-amino-2-oxo-1-phenylmethoxyethyl) acetate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylmethoxyethyl) acetate?
The canonical SMILES for (2-amino-2-oxo-1-phenylmethoxyethyl) acetate is CC(=O)OC(OCc1ccccc1)C(N)=O.
What is the InChIKey of (2-amino-2-oxo-1-phenylmethoxyethyl) acetate?
The InChIKey is IWCJCDPPSQCFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-8(13)16-11(10(12)14)15-7-9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H2,12,14).
What are the key properties of (2-amino-2-oxo-1-phenylmethoxyethyl) acetate?
(2-amino-2-oxo-1-phenylmethoxyethyl) acetate has a molecular weight of 223.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylmethoxyethyl) acetate is sourced from PubChem (CID 154369518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).