2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

C11H16F4N2O3 — CID 106294840

IUPAC2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H16F4N2O3/c12-9(13)11(14,15)5-17-10(20)16-4-6-2-1-3-7(6)8(18)19/h6-7,9H,1-5H2,(H,18,19)(H2,16,17,20)
InChIKeyNBVQNKADJVNBAP-UHFFFAOYSA-N
MW300.25 g/mol
LogP1.69
Rot. Bonds6

About 2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 106294840) has the molecular formula C11H16F4N2O3 and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID106294840
Molecular FormulaC11H16F4N2O3
Molecular Weight300.25 g/mol
Exact Mass300.11
IUPAC Name2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H16F4N2O3/c12-9(13)11(14,15)5-17-10(20)16-4-6-2-1-3-7(6)8(18)19/h6-7,9H,1-5H2,(H,18,19)(H2,16,17,20)
InChIKeyNBVQNKADJVNBAP-UHFFFAOYSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104763909
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83114129
2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106005026
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 83112749
2-[[3-(2,2-difluoroethoxy)propanoylamino]methyl]cyclopentane-1-carboxylic acid
CID 103206084
2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
CID 114169878
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468
2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114101428
2-[(hex-1-yn-3-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106232470
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106239325
2-[(hex-5-ynylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 106215949
2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79203111

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (CID 106294840) is 2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is O=C(NCC1CCCC1C(=O)O)NCC(F)(F)C(F)F.
What is the InChIKey of 2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is NBVQNKADJVNBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O3/c12-9(13)11(14,15)5-17-10(20)16-4-6-2-1-3-7(6)8(18)19/h6-7,9H,1-5H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 300.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106294840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).