cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid

C7H9F2NO2 — CID 140807928

IUPACcis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid
SMILESN[C@@H]1C[C@H](C(=O)O)CC1=C(F)F
InChIInChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m1/s1
InChIKeyCBSRETZPFOBWNG-NQXXGFSBSA-N
MW177.15 g/mol
LogP0.96
Rot. Bonds1

About cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid

cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid (PubChem CID 140807928) has the molecular formula C7H9F2NO2 and a molecular weight of 177.15 g/mol. Its IUPAC name is cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid
PubChem CID140807928
Molecular FormulaC7H9F2NO2
Molecular Weight177.15 g/mol
Exact Mass177.06
IUPAC Namecis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid
SMILESN[C@@H]1C[C@H](C(=O)O)CC1=C(F)F
InChIInChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m1/s1
InChIKeyCBSRETZPFOBWNG-NQXXGFSBSA-N
XLogP0.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride
CID 140807927
4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 70448730
trans-(1S,3S)-3-methyl-5-oxocyclohexane-1-carboxylic acid
CID 124706942
(1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid
CID 129024324
3-amino-5-methoxy-4-oxocyclohexane-1-carboxylic acid
CID 146386156
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
(1R,5S)-4-bromo-3-hydroxy-5-methylcyclohex-3-ene-1-carboxylic acid
CID 118018629
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid
CID 73242045
3-methyl-5-methylidenecyclohexane-1-carboxylic acid
CID 123924101
3-(2,2-dimethylpropyl)-4-oxocyclopentane-1-carboxylic acid
CID 146260725
cis-(1S,4S)-3-(difluoromethylidene)-4-[[5-(hydroperoxymethyl)-3-hydroxy-2-methyl-4-pyridinyl]methylideneamino]cyclopentane-1-carboxylic acid
CID 137214958

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid (CID 140807928) is cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid is N[C@@H]1C[C@H](C(=O)O)CC1=C(F)F.
What is the InChIKey of cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid?
The InChIKey is CBSRETZPFOBWNG-NQXXGFSBSA-N. The full InChI is InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m1/s1.
What are the key properties of cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid?
cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid has a molecular weight of 177.15 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 140807928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).