1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H21F3N2O3 — CID 82764006

IUPAC1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C13H21F3N2O3/c1-12(10(19)20)6-4-5-9(12)18-11(21)17-8-3-2-7-13(14,15)16/h9H,2-8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeySIEXSUPTNJXQQN-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.66
Rot. Bonds6

About 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 82764006) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID82764006
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C13H21F3N2O3/c1-12(10(19)20)6-4-5-9(12)18-11(21)17-8-3-2-7-13(14,15)16/h9H,2-8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeySIEXSUPTNJXQQN-UHFFFAOYSA-N
XLogP2.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4,4,5,5,6,6,6-Nonafluoro-2-[(methylcarbamoylamino)methyl]hexanoic acid
CID 23326942
1-[(2-Methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708205
4-Ethyl-6-(2,2,2-trifluoroethylcarbamoylamino)hexanoic acid
CID 64350081
4-Ethyl-6-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 64350666
4-Ethyl-6-(3,3,3-trifluoropropylcarbamoylamino)hexanoic acid
CID 64351246
5,5-Dimethyl-4-[2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]hexanoic acid
CID 64359729
4-Methyl-6-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 64363793
4-Methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 64364618
4-Methyl-6-(3,3,3-trifluoropropylcarbamoylamino)hexanoic acid
CID 64364821
4-Methyl-6-(2,2,2-trifluoroethylcarbamoylamino)hexanoic acid
CID 64366195
2-[1-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700073
2-[1-(2,2,2-Trifluoroethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701412

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 82764006) is 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)NCCCCC(F)(F)F.
What is the InChIKey of 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is SIEXSUPTNJXQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-12(10(19)20)6-4-5-9(12)18-11(21)17-8-3-2-7-13(14,15)16/h9H,2-8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 310.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).