[(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate

C8H11F3N2O3 — CID 68831275

IUPAC[(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate
SMILESNC(=O)[C@]1(OC(=O)C(F)(F)F)CC[C@H](N)C1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)6(15)16-7(5(13)14)2-1-4(12)3-7/h4H,1-3,12H2,(H2,13,14)/t4-,7-/m0/s1
InChIKeyZYSKYNLRHOBFHS-FFWSUHOLSA-N
MW240.18 g/mol
LogP-0.17
Rot. Bonds2

About [(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate

[(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate (PubChem CID 68831275) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is [(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate
PubChem CID68831275
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name[(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate
SMILESNC(=O)[C@]1(OC(=O)C(F)(F)F)CC[C@H](N)C1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)6(15)16-7(5(13)14)2-1-4(12)3-7/h4H,1-3,12H2,(H2,13,14)/t4-,7-/m0/s1
InChIKeyZYSKYNLRHOBFHS-FFWSUHOLSA-N
XLogP-0.17
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate (CID 68831275) is [(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate is NC(=O)[C@]1(OC(=O)C(F)(F)F)CC[C@H](N)C1.
What is the InChIKey of [(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate?
The InChIKey is ZYSKYNLRHOBFHS-FFWSUHOLSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)6(15)16-7(5(13)14)2-1-4(12)3-7/h4H,1-3,12H2,(H2,13,14)/t4-,7-/m0/s1.
What are the key properties of [(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate?
[(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate has a molecular weight of 240.18 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-amino-1-carbamoylcyclopentyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68831275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).