methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate

C16H19FN2O4 — CID 88631144

IUPACmethyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate
SMILESC#CCN1CC(=O)N(C[C@@H]2C(/C=C(\F)C(=O)OC)C2(C)C)C1=O
InChIInChI=1S/C16H19FN2O4/c1-5-6-18-9-13(20)19(15(18)22)8-11-10(16(11,2)3)7-12(17)14(21)23-4/h1,7,10-11H,6,8-9H2,2-4H3/b12-7-/t10?,11-/m1/s1
InChIKeyFGJQDNJOPOKRNJ-IRYYNKFGSA-N
MW322.34 g/mol
LogP1.18
Rot. Bonds5

About methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate

methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate (PubChem CID 88631144) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate
PubChem CID88631144
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Namemethyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate
SMILESC#CCN1CC(=O)N(C[C@@H]2C(/C=C(\F)C(=O)OC)C2(C)C)C1=O
InChIInChI=1S/C16H19FN2O4/c1-5-6-18-9-13(20)19(15(18)22)8-11-10(16(11,2)3)7-12(17)14(21)23-4/h1,7,10-11H,6,8-9H2,2-4H3/b12-7-/t10?,11-/m1/s1
InChIKeyFGJQDNJOPOKRNJ-IRYYNKFGSA-N
XLogP1.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate?
The IUPAC name of methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate (CID 88631144) is methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate?
The canonical SMILES for methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate is C#CCN1CC(=O)N(C[C@@H]2C(/C=C(\F)C(=O)OC)C2(C)C)C1=O.
What is the InChIKey of methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate?
The InChIKey is FGJQDNJOPOKRNJ-IRYYNKFGSA-N. The full InChI is InChI=1S/C16H19FN2O4/c1-5-6-18-9-13(20)19(15(18)22)8-11-10(16(11,2)3)7-12(17)14(21)23-4/h1,7,10-11H,6,8-9H2,2-4H3/b12-7-/t10?,11-/m1/s1.
What are the key properties of methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate?
methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate has a molecular weight of 322.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[(3R)-3-[(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl]-2,2-dimethylcyclopropyl]-2-fluoroprop-2-enoate is sourced from PubChem (CID 88631144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).