cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 90157061

IUPACcis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)[C@H]1CC[C@@H](NC)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-3-11-9(12)7-4-5-8(6-7)10-2;3-2(4,5)1(6)7/h7-8,10H,3-6H2,1-2H3,(H,11,12);(H,6,7)/t7-,8+;/m0./s1
InChIKeyFFHZZNWKWLJBNC-KZYPOYLOSA-N
MW284.28 g/mol
LogP1.14
Rot. Bonds3

About cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid

cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 90157061) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID90157061
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Namecis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)[C@H]1CC[C@@H](NC)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-3-11-9(12)7-4-5-8(6-7)10-2;3-2(4,5)1(6)7/h7-8,10H,3-6H2,1-2H3,(H,11,12);(H,6,7)/t7-,8+;/m0./s1
InChIKeyFFHZZNWKWLJBNC-KZYPOYLOSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 90157061) is cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid is CCNC(=O)[C@H]1CC[C@@H](NC)C1.O=C(O)C(F)(F)F.
What is the InChIKey of cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FFHZZNWKWLJBNC-KZYPOYLOSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-3-11-9(12)7-4-5-8(6-7)10-2;3-2(4,5)1(6)7/h7-8,10H,3-6H2,1-2H3,(H,11,12);(H,6,7)/t7-,8+;/m0./s1.
What are the key properties of cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid?
cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-ethyl-3-(methylamino)cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90157061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).