ethyl 2-(phenylmethoxycarbonylamino)acetate

C12H15NO4 — CID 14366

IUPACethyl 2-(phenylmethoxycarbonylamino)acetate
SMILESCCOC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c1-2-16-11(14)8-13-12(15)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKeyHAIHOTOFCDNWDA-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.48
Rot. Bonds5

About ethyl 2-(phenylmethoxycarbonylamino)acetate

ethyl 2-(phenylmethoxycarbonylamino)acetate (PubChem CID 14366) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(phenylmethoxycarbonylamino)acetate
PubChem CID14366
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-(phenylmethoxycarbonylamino)acetate
SMILESCCOC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c1-2-16-11(14)8-13-12(15)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKeyHAIHOTOFCDNWDA-UHFFFAOYSA-N
XLogP1.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of ethyl 2-(phenylmethoxycarbonylamino)acetate (CID 14366) is ethyl 2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for ethyl 2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for ethyl 2-(phenylmethoxycarbonylamino)acetate is CCOC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of ethyl 2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is HAIHOTOFCDNWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-16-11(14)8-13-12(15)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15).
What are the key properties of ethyl 2-(phenylmethoxycarbonylamino)acetate?
ethyl 2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 237.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 14366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).