methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate

C12H18F3NO4 — CID 103879541

IUPACmethyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3NO4/c1-20-11(19)9(17)6-16-10(18)7-4-2-3-5-8(7)12(13,14)15/h7-9,17H,2-6H2,1H3,(H,16,18)
InChIKeyLPDNDMCMUTYUAU-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.01
Rot. Bonds4

About methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate

methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate (PubChem CID 103879541) has the molecular formula C12H18F3NO4 and a molecular weight of 297.27 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate
PubChem CID103879541
Molecular FormulaC12H18F3NO4
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Namemethyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3NO4/c1-20-11(19)9(17)6-16-10(18)7-4-2-3-5-8(7)12(13,14)15/h7-9,17H,2-6H2,1H3,(H,16,18)
InChIKeyLPDNDMCMUTYUAU-UHFFFAOYSA-N
XLogP1.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-3-[(4-ethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoate
CID 129359117
N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80742493
2-[2-[(4,4-Difluorocyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 81930410
3-[(4,4-Difluorocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 81930450
3-[(4,4-Difluorocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 81930451
2-Hydroxy-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81931063
2-Hydroxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81931087
2-Hydroxy-2-methyl-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81931138
N-(2-hydroxy-3-methoxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932804
4,4-difluoro-N-(2-hydroxy-3-methoxypropyl)cyclohexane-1-carboxamide
CID 81932805
Methyl 2-hydroxy-3-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate
CID 103490999
N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103877346

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate (CID 103879541) is methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate is COC(=O)C(O)CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate?
The InChIKey is LPDNDMCMUTYUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4/c1-20-11(19)9(17)6-16-10(18)7-4-2-3-5-8(7)12(13,14)15/h7-9,17H,2-6H2,1H3,(H,16,18).
What are the key properties of methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate?
methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate has a molecular weight of 297.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate is sourced from PubChem (CID 103879541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).