(3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid

C8H10FNO5 — CID 146029655

IUPAC(3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESNC1(C(=O)O)C2C(C[C@H]1O)[C@]2(F)C(=O)O
InChIInChI=1S/C8H10FNO5/c9-7(5(12)13)2-1-3(11)8(10,4(2)7)6(14)15/h2-4,11H,1,10H2,(H,12,13)(H,14,15)/t2?,3-,4?,7-,8?/m1/s1
InChIKeyRQMATUGEOACXDC-CHQHKIDNSA-N
MW219.17 g/mol
LogP-1.43
Rot. Bonds2

About (3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid

(3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid (PubChem CID 146029655) has the molecular formula C8H10FNO5 and a molecular weight of 219.17 g/mol. Its IUPAC name is (3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
PubChem CID146029655
Molecular FormulaC8H10FNO5
Molecular Weight219.17 g/mol
Exact Mass219.05
IUPAC Name(3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESNC1(C(=O)O)C2C(C[C@H]1O)[C@]2(F)C(=O)O
InChIInChI=1S/C8H10FNO5/c9-7(5(12)13)2-1-3(11)8(10,4(2)7)6(14)15/h2-4,11H,1,10H2,(H,12,13)(H,14,15)/t2?,3-,4?,7-,8?/m1/s1
InChIKeyRQMATUGEOACXDC-CHQHKIDNSA-N
XLogP-1.43
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The IUPAC name of (3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid (CID 146029655) is (3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid.
What is the SMILES notation for (3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The canonical SMILES for (3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid is NC1(C(=O)O)C2C(C[C@H]1O)[C@]2(F)C(=O)O.
What is the InChIKey of (3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The InChIKey is RQMATUGEOACXDC-CHQHKIDNSA-N. The full InChI is InChI=1S/C8H10FNO5/c9-7(5(12)13)2-1-3(11)8(10,4(2)7)6(14)15/h2-4,11H,1,10H2,(H,12,13)(H,14,15)/t2?,3-,4?,7-,8?/m1/s1.
What are the key properties of (3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
(3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid has a molecular weight of 219.17 g/mol, XLogP of -1.43, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid is sourced from PubChem (CID 146029655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).