ethyl 2-(phenoxycarbonylamino)propanoate

C12H15NO4 — CID 14420079

IUPACethyl 2-(phenoxycarbonylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C12H15NO4/c1-3-16-11(14)9(2)13-12(15)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)
InChIKeyNFDQWHWOYVIZHH-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.73
Rot. Bonds4

About ethyl 2-(phenoxycarbonylamino)propanoate

ethyl 2-(phenoxycarbonylamino)propanoate (PubChem CID 14420079) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 2-(phenoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(phenoxycarbonylamino)propanoate
PubChem CID14420079
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-(phenoxycarbonylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C12H15NO4/c1-3-16-11(14)9(2)13-12(15)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)
InChIKeyNFDQWHWOYVIZHH-UHFFFAOYSA-N
XLogP1.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenoxycarbonylamino)propanoate?
The IUPAC name of ethyl 2-(phenoxycarbonylamino)propanoate (CID 14420079) is ethyl 2-(phenoxycarbonylamino)propanoate.
What is the SMILES notation for ethyl 2-(phenoxycarbonylamino)propanoate?
The canonical SMILES for ethyl 2-(phenoxycarbonylamino)propanoate is CCOC(=O)C(C)NC(=O)Oc1ccccc1.
What is the InChIKey of ethyl 2-(phenoxycarbonylamino)propanoate?
The InChIKey is NFDQWHWOYVIZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-16-11(14)9(2)13-12(15)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-(phenoxycarbonylamino)propanoate?
ethyl 2-(phenoxycarbonylamino)propanoate has a molecular weight of 237.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenoxycarbonylamino)propanoate is sourced from PubChem (CID 14420079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).