(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

C15H15Cl2FN2O4 — CID 11394777

IUPAC(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESN[C@]1(C(=O)O)[C@H]2[C@@H](C[C@H]1NCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(=O)O
InChIInChI=1S/C15H15Cl2FN2O4/c16-8-2-1-6(3-9(8)17)5-20-10-4-7-11(14(7,18)12(21)22)15(10,19)13(23)24/h1-3,7,10-11,20H,4-5,19H2,(H,21,22)(H,23,24)/t7-,10-,11+,14-,15+/m1/s1
InChIKeyDMIZZHSPGNHCEG-JAGWWQSPSA-N
MW377.20 g/mol
LogP1.68
Rot. Bonds5

About (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (PubChem CID 11394777) has the molecular formula C15H15Cl2FN2O4 and a molecular weight of 377.20 g/mol. Its IUPAC name is (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
PubChem CID11394777
Molecular FormulaC15H15Cl2FN2O4
Molecular Weight377.20 g/mol
Exact Mass376.04
IUPAC Name(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESN[C@]1(C(=O)O)[C@H]2[C@@H](C[C@H]1NCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(=O)O
InChIInChI=1S/C15H15Cl2FN2O4/c16-8-2-1-6(3-9(8)17)5-20-10-4-7-11(14(7,18)12(21)22)15(10,19)13(23)24/h1-3,7,10-11,20H,4-5,19H2,(H,21,22)(H,23,24)/t7-,10-,11+,14-,15+/m1/s1
InChIKeyDMIZZHSPGNHCEG-JAGWWQSPSA-N
XLogP1.68
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The IUPAC name of (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (CID 11394777) is (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid.
What is the SMILES notation for (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The canonical SMILES for (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid is N[C@]1(C(=O)O)[C@H]2[C@@H](C[C@H]1NCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(=O)O.
What is the InChIKey of (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The InChIKey is DMIZZHSPGNHCEG-JAGWWQSPSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O4/c16-8-2-1-6(3-9(8)17)5-20-10-4-7-11(14(7,18)12(21)22)15(10,19)13(23)24/h1-3,7,10-11,20H,4-5,19H2,(H,21,22)(H,23,24)/t7-,10-,11+,14-,15+/m1/s1.
What are the key properties of (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid has a molecular weight of 377.20 g/mol, XLogP of 1.68, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylamino]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid is sourced from PubChem (CID 11394777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).