(Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid

C17H14FNO4 — CID 68606548

IUPAC(Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid
SMILESO=C(N/C(=C\c1ccc(F)cc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C17H14FNO4/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,22)(H,20,21)/b15-10-
InChIKeyRATLDBJJZFQQDD-GDNBJRDFSA-N
MW315.30 g/mol
LogP3.18
Rot. Bonds5

About (Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid

(Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid (PubChem CID 68606548) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid
PubChem CID68606548
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name(Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid
SMILESO=C(N/C(=C\c1ccc(F)cc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C17H14FNO4/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,22)(H,20,21)/b15-10-
InChIKeyRATLDBJJZFQQDD-GDNBJRDFSA-N
XLogP3.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid?
The IUPAC name of (Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid (CID 68606548) is (Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid is O=C(N/C(=C\c1ccc(F)cc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid?
The InChIKey is RATLDBJJZFQQDD-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H14FNO4/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,22)(H,20,21)/b15-10-.
What are the key properties of (Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid?
(Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid has a molecular weight of 315.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid is sourced from PubChem (CID 68606548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).