cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid

C10H16F3NO4 — CID 86717536

IUPACcis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)[C@@H]1CC[C@H](N)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO2.C2HF3O2/c1-2-11-8(10)6-3-4-7(9)5-6;3-2(4,5)1(6)7/h6-7H,2-5,9H2,1H3;(H,6,7)/t6-,7+;/m1./s1
InChIKeySKBSDOXMYUPSHE-HHQFNNIRSA-N
MW271.23 g/mol
LogP1.31
Rot. Bonds2

About cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid

cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 86717536) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID86717536
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Namecis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)[C@@H]1CC[C@H](N)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO2.C2HF3O2/c1-2-11-8(10)6-3-4-7(9)5-6;3-2(4,5)1(6)7/h6-7H,2-5,9H2,1H3;(H,6,7)/t6-,7+;/m1./s1
InChIKeySKBSDOXMYUPSHE-HHQFNNIRSA-N
XLogP1.31
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
ethyl (1S,3R,4S)-4-amino-3-fluorocyclohexane-1-carboxylate
CID 172915911
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 10607292
cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323832
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432
cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323797
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid (CID 86717536) is cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid is CCOC(=O)[C@@H]1CC[C@H](N)C1.O=C(O)C(F)(F)F.
What is the InChIKey of cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is SKBSDOXMYUPSHE-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H15NO2.C2HF3O2/c1-2-11-8(10)6-3-4-7(9)5-6;3-2(4,5)1(6)7/h6-7H,2-5,9H2,1H3;(H,6,7)/t6-,7+;/m1./s1.
What are the key properties of cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid?
cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 271.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86717536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).