(2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

C8H10FNO4 — CID 66784537

IUPAC(2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESNC1(C(=O)O)C2[C@@H](C(=O)O)[C@H]2C[C@H]1F
InChIInChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3-,4+,5?,8?/m1/s1
InChIKeyDIWVNJFXRKZAGI-XHGXVINMSA-N
MW203.17 g/mol
LogP-0.54
Rot. Bonds2

About (2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

(2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (PubChem CID 66784537) has the molecular formula C8H10FNO4 and a molecular weight of 203.17 g/mol. Its IUPAC name is (2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
PubChem CID66784537
Molecular FormulaC8H10FNO4
Molecular Weight203.17 g/mol
Exact Mass203.06
IUPAC Name(2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESNC1(C(=O)O)C2[C@@H](C(=O)O)[C@H]2C[C@H]1F
InChIInChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3-,4+,5?,8?/m1/s1
InChIKeyDIWVNJFXRKZAGI-XHGXVINMSA-N
XLogP-0.54
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

(1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 57208822
(1S,2S,3S,6R)-2-amino-6-[1-(4,4-dimethylcyclohexyl)oxycarbonyloxyethoxycarbonyl]-3-fluorobicyclo[3.1.0]hexane-2-carboxylic acid
CID 130273129
3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid
CID 22708856
2-amino-3-[(2,3-dichlorophenyl)methyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 67684868
(1R,2S,5S,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 102066259
(2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 135160511
2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
CID 77214893
ethyl (1S,2S,3S,5R,6S)-2-amino-2-cyano-3-fluorobicyclo[3.1.0]hexane-6-carboxylate
CID 130272602
(1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
CID 73357649
[(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate
CID 70023812
(1S,2R,3S,5R,6S)-2-acetamido-3-deuterio-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 57280357
9-aminobicyclo[3.3.1]nonane-9-carboxylic acid
CID 4866632

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The IUPAC name of (2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (CID 66784537) is (2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid.
What is the SMILES notation for (2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The canonical SMILES for (2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid is NC1(C(=O)O)C2[C@@H](C(=O)O)[C@H]2C[C@H]1F.
What is the InChIKey of (2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The InChIKey is DIWVNJFXRKZAGI-XHGXVINMSA-N. The full InChI is InChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3-,4+,5?,8?/m1/s1.
What are the key properties of (2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
(2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid has a molecular weight of 203.17 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid is sourced from PubChem (CID 66784537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).