silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate

C7H7AgF3NO4 — CID 166063775

IUPACsilver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate
SMILESNC1(C(F)(F)F)CC(C(=O)[O-])(C(=O)O)C1.[Ag+]
InChIInChI=1S/C7H8F3NO4.Ag/c8-7(9,10)6(11)1-5(2-6,3(12)13)4(14)15;/h1-2,11H2,(H,12,13)(H,14,15);/q;+1/p-1
InChIKeyKFGKDRLDCJCQRG-UHFFFAOYSA-M
MW334.00 g/mol
LogP-1.14
Rot. Bonds2

About silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate

silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate (PubChem CID 166063775) has the molecular formula C7H7AgF3NO4 and a molecular weight of 334.00 g/mol. Its IUPAC name is silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namesilver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate
PubChem CID166063775
Molecular FormulaC7H7AgF3NO4
Molecular Weight334.00 g/mol
Exact Mass332.94
IUPAC Namesilver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate
SMILESNC1(C(F)(F)F)CC(C(=O)[O-])(C(=O)O)C1.[Ag+]
InChIInChI=1S/C7H8F3NO4.Ag/c8-7(9,10)6(11)1-5(2-6,3(12)13)4(14)15;/h1-2,11H2,(H,12,13)(H,14,15);/q;+1/p-1
InChIKeyKFGKDRLDCJCQRG-UHFFFAOYSA-M
XLogP-1.14
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 135397437
azane;bis(1-carboxycyclobutane-1-carboxylate);platinum(2+)
CID 10301374
4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 86775367
2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 58388253
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
sulfane;1-(trifluoromethyl)cyclopropan-1-amine
CID 159034051
(4S)-3-amino-4-fluorooxolane-3-carboxylic acid
CID 70639707
cyclopentane-1,1-dicarboxylic acid;dihydrobromide
CID 90449229
cyclotritriacontane-1,1,12,12,23,23-hexacarboxylic acid
CID 132573281
cyclohexane-1,1-dicarboxylic acid
CID 70539849
cyclopentane-1,1,2,2,4,4-hexacarboxylic acid
CID 101297823

Frequently Asked Questions

What is the IUPAC name of silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate?
The IUPAC name of silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate (CID 166063775) is silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate?
The canonical SMILES for silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate is NC1(C(F)(F)F)CC(C(=O)[O-])(C(=O)O)C1.[Ag+].
What is the InChIKey of silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate?
The InChIKey is KFGKDRLDCJCQRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8F3NO4.Ag/c8-7(9,10)6(11)1-5(2-6,3(12)13)4(14)15;/h1-2,11H2,(H,12,13)(H,14,15);/q;+1/p-1.
What are the key properties of silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate?
silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate has a molecular weight of 334.00 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 166063775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).