phenylmethoxycarbonylamino acetate

C10H11NO4 — CID 10954788

IUPACphenylmethoxycarbonylamino acetate
SMILESCC(=O)ONC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO4/c1-8(12)15-11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
InChIKeyYEIRDDKOGLZHLP-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.39
Rot. Bonds2

About phenylmethoxycarbonylamino acetate

phenylmethoxycarbonylamino acetate (PubChem CID 10954788) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is phenylmethoxycarbonylamino acetate.

Molecular Properties

Compound Namephenylmethoxycarbonylamino acetate
PubChem CID10954788
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namephenylmethoxycarbonylamino acetate
SMILESCC(=O)ONC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO4/c1-8(12)15-11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
InChIKeyYEIRDDKOGLZHLP-UHFFFAOYSA-N
XLogP1.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.39
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

Benzyl acetate
CID 8785
Benzyl butyrate
CID 7650
Benzyl isobutyrate
CID 7646
Benzyl propionate
CID 31219
Benzyl carbazate
CID 79242
Carfimate
CID 19111
Benzyl hydroxycarbamate
CID 18907
Benzyl carbamate
CID 12136
benzyl N-methylcarbamate
CID 562265
2-Butenoic acid, 3-methyl-, phenylmethyl ester
CID 162264
benzyl N-aminooxysulfonylcarbamate
CID 122187597
Benzyl (benzyloxy)carbamate
CID 13417381

Frequently Asked Questions

What is the IUPAC name of phenylmethoxycarbonylamino acetate?
The IUPAC name of phenylmethoxycarbonylamino acetate (CID 10954788) is phenylmethoxycarbonylamino acetate.
What is the SMILES notation for phenylmethoxycarbonylamino acetate?
The canonical SMILES for phenylmethoxycarbonylamino acetate is CC(=O)ONC(=O)OCc1ccccc1.
What is the InChIKey of phenylmethoxycarbonylamino acetate?
The InChIKey is YEIRDDKOGLZHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-8(12)15-11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13).
What are the key properties of phenylmethoxycarbonylamino acetate?
phenylmethoxycarbonylamino acetate has a molecular weight of 209.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxycarbonylamino acetate is sourced from PubChem (CID 10954788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).