4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid

C12H19F3N2O3 — CID 79532320

IUPAC4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CNCC1CCC(C(=O)O)CC1)NCC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)7-17-10(18)6-16-5-8-1-3-9(4-2-8)11(19)20/h8-9,16H,1-7H2,(H,17,18)(H,19,20)
InChIKeyYJQGQDCSVQSFJI-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.15
Rot. Bonds6

About 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79532320) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79532320
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CNCC1CCC(C(=O)O)CC1)NCC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)7-17-10(18)6-16-5-8-1-3-9(4-2-8)11(19)20/h8-9,16H,1-7H2,(H,17,18)(H,19,20)
InChIKeyYJQGQDCSVQSFJI-UHFFFAOYSA-N
XLogP1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-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

2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106133433
2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103603891
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65107560
2-[[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-3-yl]methylamino]acetic acid
CID 106814097
4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808097
4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532642
N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106176452
N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 107296147
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 43466550
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525505

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79532320) is 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(CNCC1CCC(C(=O)O)CC1)NCC(F)(F)F.
What is the InChIKey of 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YJQGQDCSVQSFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c13-12(14,15)7-17-10(18)6-16-5-8-1-3-9(4-2-8)11(19)20/h8-9,16H,1-7H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79532320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).