cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid

C13H13F3N2O3 — CID 106321029

IUPACcis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)8-2-4-10(17-6-8)11(19)18-9-3-1-7(5-9)12(20)21/h2,4,6-7,9H,1,3,5H2,(H,18,19)(H,20,21)/t7-,9+/m1/s1
InChIKeyHBSNUUPLUOTLFC-APPZFPTMSA-N
MW302.25 g/mol
LogP2.08
Rot. Bonds3

About cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106321029) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106321029
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Namecis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)8-2-4-10(17-6-8)11(19)18-9-3-1-7(5-9)12(20)21/h2,4,6-7,9H,1,3,5H2,(H,18,19)(H,20,21)/t7-,9+/m1/s1
InChIKeyHBSNUUPLUOTLFC-APPZFPTMSA-N
XLogP2.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(5-fluoropyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320712
N-(3-hydroxycyclobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909152
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66032182
N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737184
N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909182
4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 62958596
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103860508
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 95136963
cis-(1S,3R)-3-(1,2,5-thiadiazole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 120675557
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321292

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 106321029) is cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is HBSNUUPLUOTLFC-APPZFPTMSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)8-2-4-10(17-6-8)11(19)18-9-3-1-7(5-9)12(20)21/h2,4,6-7,9H,1,3,5H2,(H,18,19)(H,20,21)/t7-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 302.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).