methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate

C8H12F3NO3 — CID 131853056

IUPACmethyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate
SMILESCC[C@H](CC(=O)OC)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-3-5(4-6(13)15-2)12-7(14)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)/t5-/m1/s1
InChIKeyJJCPBYDUBRJLSS-RXMQYKEDSA-N
MW227.18 g/mol
LogP1.01
Rot. Bonds4

About methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate

methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate (PubChem CID 131853056) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate
PubChem CID131853056
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Namemethyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate
SMILESCC[C@H](CC(=O)OC)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-3-5(4-6(13)15-2)12-7(14)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)/t5-/m1/s1
InChIKeyJJCPBYDUBRJLSS-RXMQYKEDSA-N
XLogP1.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-acetamidopentanoate
CID 11446607
methyl (3S,4R,5S)-5-methyl-4-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxyheptanoate
CID 15748076
2,2,2-trifluoro-N-hex-5-yn-3-ylacetamide
CID 115647459
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide
CID 15034414
methyl (4S)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 102062040
methyl (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 58583629
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 79006992
methyl 4-amino-3-(trifluoromethyl)hexanoate
CID 66097514
methyl 3-[3-(4-tert-butylphenyl)propanoylamino]pentanoate
CID 112533178
methyl (4S)-5-(4-methoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 25138757
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide
CID 103020409
2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide
CID 130927350

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The IUPAC name of methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate (CID 131853056) is methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate.
What is the SMILES notation for methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The canonical SMILES for methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate is CC[C@H](CC(=O)OC)NC(=O)C(F)(F)F.
What is the InChIKey of methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The InChIKey is JJCPBYDUBRJLSS-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-3-5(4-6(13)15-2)12-7(14)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)/t5-/m1/s1.
What are the key properties of methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate?
methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate has a molecular weight of 227.18 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate is sourced from PubChem (CID 131853056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).