(2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

C15H15Cl2NO5 — CID 135160511

IUPAC(2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESNC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)CC2C(C(=O)O)C21
InChIInChI=1S/C15H15Cl2NO5/c16-8-2-1-6(3-9(8)17)5-23-10-4-7-11(13(19)20)12(7)15(10,18)14(21)22/h1-3,7,10-12H,4-5,18H2,(H,19,20)(H,21,22)
InChIKeyXLSONCLMZVRYDV-UHFFFAOYSA-N
MW360.19 g/mol
LogP2.01
Rot. Bonds5

About (2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

(2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid (PubChem CID 135160511) has the molecular formula C15H15Cl2NO5 and a molecular weight of 360.19 g/mol. Its IUPAC name is (2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
PubChem CID135160511
Molecular FormulaC15H15Cl2NO5
Molecular Weight360.19 g/mol
Exact Mass359.03
IUPAC Name(2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESNC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)CC2C(C(=O)O)C21
InChIInChI=1S/C15H15Cl2NO5/c16-8-2-1-6(3-9(8)17)5-23-10-4-7-11(13(19)20)12(7)15(10,18)14(21)22/h1-3,7,10-12H,4-5,18H2,(H,19,20)(H,21,22)
InChIKeyXLSONCLMZVRYDV-UHFFFAOYSA-N
XLogP2.01
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The IUPAC name of (2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid (CID 135160511) is (2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid.
What is the SMILES notation for (2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The canonical SMILES for (2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid is NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)CC2C(C(=O)O)C21.
What is the InChIKey of (2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The InChIKey is XLSONCLMZVRYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO5/c16-8-2-1-6(3-9(8)17)5-23-10-4-7-11(13(19)20)12(7)15(10,18)14(21)22/h1-3,7,10-12H,4-5,18H2,(H,19,20)(H,21,22).
What are the key properties of (2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
(2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid has a molecular weight of 360.19 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid is sourced from PubChem (CID 135160511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).