(2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate

C16H17N3O5 — CID 57218645

IUPAC(2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate
SMILESCC(C(=O)Oc1ccc(Oc2ccccc2)cc1C(N)=O)N(N)O
InChIInChI=1S/C16H17N3O5/c1-10(19(18)22)16(21)24-14-8-7-12(9-13(14)15(17)20)23-11-5-3-2-4-6-11/h2-10,22H,18H2,1H3,(H2,17,20)
InChIKeyPJZDLSPJVWSWJO-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.44
Rot. Bonds6

About (2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate

(2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate (PubChem CID 57218645) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is (2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate.

Molecular Properties

Compound Name(2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate
PubChem CID57218645
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name(2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate
SMILESCC(C(=O)Oc1ccc(Oc2ccccc2)cc1C(N)=O)N(N)O
InChIInChI=1S/C16H17N3O5/c1-10(19(18)22)16(21)24-14-8-7-12(9-13(14)15(17)20)23-11-5-3-2-4-6-11/h2-10,22H,18H2,1H3,(H2,17,20)
InChIKeyPJZDLSPJVWSWJO-UHFFFAOYSA-N
XLogP1.44
TPSA128.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate?
The IUPAC name of (2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate (CID 57218645) is (2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate.
What is the SMILES notation for (2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate?
The canonical SMILES for (2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate is CC(C(=O)Oc1ccc(Oc2ccccc2)cc1C(N)=O)N(N)O.
What is the InChIKey of (2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate?
The InChIKey is PJZDLSPJVWSWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-10(19(18)22)16(21)24-14-8-7-12(9-13(14)15(17)20)23-11-5-3-2-4-6-11/h2-10,22H,18H2,1H3,(H2,17,20).
What are the key properties of (2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate?
(2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate has a molecular weight of 331.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-4-phenoxyphenyl) 2-[amino(hydroxy)amino]propanoate is sourced from PubChem (CID 57218645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).