methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate

C10H14F3NO3 — CID 60794433

IUPACmethyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C1CC1
InChIInChI=1S/C10H14F3NO3/c1-17-8(15)4-5-14(6-10(11,12)13)9(16)7-2-3-7/h7H,2-6H2,1H3
InChIKeyICAXRHFYJPHROJ-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.35
Rot. Bonds5

About methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 60794433) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID60794433
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Namemethyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C1CC1
InChIInChI=1S/C10H14F3NO3/c1-17-8(15)4-5-14(6-10(11,12)13)9(16)7-2-3-7/h7H,2-6H2,1H3
InChIKeyICAXRHFYJPHROJ-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60947149
methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 66236037
methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794156
3-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 55049303
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992609
methyl 3-[2-chloropropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54875687
methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
CID 48865248
methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 63122134
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 115448091
methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate
CID 61011308
methyl 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 81172635

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate (CID 60794433) is methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)C1CC1.
What is the InChIKey of methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is ICAXRHFYJPHROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-17-8(15)4-5-14(6-10(11,12)13)9(16)7-2-3-7/h7H,2-6H2,1H3.
What are the key properties of methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 253.22 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 60794433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).