2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride

C8H11ClFNO4 — CID 77214893

IUPAC2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CC(F)C2C(C(=O)O)C21
InChIInChI=1S/C8H10FNO4.ClH/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12;/h2-5H,1,10H2,(H,11,12)(H,13,14);1H
InChIKeySKUQLNUMXDHBGE-UHFFFAOYSA-N
MW239.63 g/mol
LogP-0.12
Rot. Bonds2

About 2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride

2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride (PubChem CID 77214893) has the molecular formula C8H11ClFNO4 and a molecular weight of 239.63 g/mol. Its IUPAC name is 2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
PubChem CID77214893
Molecular FormulaC8H11ClFNO4
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CC(F)C2C(C(=O)O)C21
InChIInChI=1S/C8H10FNO4.ClH/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12;/h2-5H,1,10H2,(H,11,12)(H,13,14);1H
InChIKeySKUQLNUMXDHBGE-UHFFFAOYSA-N
XLogP-0.12
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4R,5S,6R)-2-amino-4-benzamidobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 90711464
(1S,2S,4R,5R,6R)-2-amino-4-phenylsulfanylbicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 102493755
(1R,2S,4R,5R,6R)-2-amino-4-phenylsulfanylbicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 10979251
(1R,2S,4R,5R,6R)-2-amino-4-[[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
CID 86716594
(1R,2S,4S,5R,6R)-2-amino-4-[[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
CID 71476417
2-amino-4-(4-chlorophenyl)sulfanylbicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 67721268
(1S,2R,4R,5S,6R)-2-amino-4-[(3,4-dichlorobenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 91400717
2-amino-4-(2-phenylethylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 67721176
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
(1R,2S,4S,5R,6R)-2-amino-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 90098428
trans-(1R,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 121215505
trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 43810883

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride?
The IUPAC name of 2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride (CID 77214893) is 2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride.
What is the SMILES notation for 2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride?
The canonical SMILES for 2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride is Cl.NC1(C(=O)O)CC(F)C2C(C(=O)O)C21.
What is the InChIKey of 2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride?
The InChIKey is SKUQLNUMXDHBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO4.ClH/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12;/h2-5H,1,10H2,(H,11,12)(H,13,14);1H.
What are the key properties of 2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride?
2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride has a molecular weight of 239.63 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 77214893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).