(1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

C8H8FNO5 — CID 90735441

IUPAC(1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESNC1(C(=O)O)CC(=O)C2[C@H]1[C@@]2(F)C(=O)O
InChIInChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3?,4-,7?,8-/m1/s1
InChIKeyKFAGJPNFERWZJA-JYNWWAAVSA-N
MW217.15 g/mol
LogP-1.22
Rot. Bonds2

About (1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

(1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (PubChem CID 90735441) has the molecular formula C8H8FNO5 and a molecular weight of 217.15 g/mol. Its IUPAC name is (1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
PubChem CID90735441
Molecular FormulaC8H8FNO5
Molecular Weight217.15 g/mol
Exact Mass217.04
IUPAC Name(1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESNC1(C(=O)O)CC(=O)C2[C@H]1[C@@]2(F)C(=O)O
InChIInChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3?,4-,7?,8-/m1/s1
InChIKeyKFAGJPNFERWZJA-JYNWWAAVSA-N
XLogP-1.22
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 13006360
(1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
CID 130756032
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid
CID 175481331
(3R,6R)-2-amino-6-fluoro-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 146029655
(1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one
CID 58878664
1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid
CID 174986049
(1R,2S,3R,5R,6R)-2-amino-3-(3,4-dichlorophenyl)sulfanyl-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 11268986
trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 43810883
trans-(1R,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 121215505
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
2,6-diamino-1,3,5,7-tetrahydro-s-indacene-2,6-dicarboxylic acid
CID 102160672

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The IUPAC name of (1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (CID 90735441) is (1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid.
What is the SMILES notation for (1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The canonical SMILES for (1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid is NC1(C(=O)O)CC(=O)C2[C@H]1[C@@]2(F)C(=O)O.
What is the InChIKey of (1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The InChIKey is KFAGJPNFERWZJA-JYNWWAAVSA-N. The full InChI is InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3?,4-,7?,8-/m1/s1.
What are the key properties of (1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
(1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid has a molecular weight of 217.15 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid is sourced from PubChem (CID 90735441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).