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

C7H10ClF2NO2 — CID 140807927

IUPACcis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1C[C@H](C(=O)O)CC1=C(F)F
InChIInChI=1S/C7H9F2NO2.ClH/c8-6(9)4-1-3(7(11)12)2-5(4)10;/h3,5H,1-2,10H2,(H,11,12);1H/t3-,5-;/m1./s1
InChIKeyPGVAKHBXGXBOSB-MXQJLSQZSA-N
MW213.61 g/mol
LogP1.38
Rot. Bonds1

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

cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride (PubChem CID 140807927) has the molecular formula C7H10ClF2NO2 and a molecular weight of 213.61 g/mol. Its IUPAC name is cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride
PubChem CID140807927
Molecular FormulaC7H10ClF2NO2
Molecular Weight213.61 g/mol
Exact Mass213.04
IUPAC Namecis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1C[C@H](C(=O)O)CC1=C(F)F
InChIInChI=1S/C7H9F2NO2.ClH/c8-6(9)4-1-3(7(11)12)2-5(4)10;/h3,5H,1-2,10H2,(H,11,12);1H/t3-,5-;/m1./s1
InChIKeyPGVAKHBXGXBOSB-MXQJLSQZSA-N
XLogP1.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.61
LogP ≤ 51.38
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
CID 140807928
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
cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45265238
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
4-amino-3-fluorocyclopent-2-ene-1-carboxylic acid
CID 73242045
3-methyl-5-methylidenecyclohexane-1-carboxylic acid
CID 123924101

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride (CID 140807927) is cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride is Cl.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;hydrochloride?
The InChIKey is PGVAKHBXGXBOSB-MXQJLSQZSA-N. The full InChI is InChI=1S/C7H9F2NO2.ClH/c8-6(9)4-1-3(7(11)12)2-5(4)10;/h3,5H,1-2,10H2,(H,11,12);1H/t3-,5-;/m1./s1.
What are the key properties of cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride?
cis-(1R,3R)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid;hydrochloride has a molecular weight of 213.61 g/mol, XLogP of 1.38, 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;hydrochloride is sourced from PubChem (CID 140807927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).