3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide

C15H18FN3O2 — CID 167907373

IUPAC3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESNC(=O)C(NC(=O)C1C2CC(N)CC21)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2/c16-8-3-1-7(2-4-8)13(14(18)20)19-15(21)12-10-5-9(17)6-11(10)12/h1-4,9-13H,5-6,17H2,(H2,18,20)(H,19,21)
InChIKeyVVMOGTPUMCMMTA-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.45
Rot. Bonds4

About 3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide

3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 167907373) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID167907373
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESNC(=O)C(NC(=O)C1C2CC(N)CC21)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2/c16-8-3-1-7(2-4-8)13(14(18)20)19-15(21)12-10-5-9(17)6-11(10)12/h1-4,9-13H,5-6,17H2,(H2,18,20)(H,19,21)
InChIKeyVVMOGTPUMCMMTA-UHFFFAOYSA-N
XLogP0.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 167907373) is 3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide is NC(=O)C(NC(=O)C1C2CC(N)CC21)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is VVMOGTPUMCMMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-8-3-1-7(2-4-8)13(14(18)20)19-15(21)12-10-5-9(17)6-11(10)12/h1-4,9-13H,5-6,17H2,(H2,18,20)(H,19,21).
What are the key properties of 3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide?
3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 167907373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).