propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate

C10H16F3NO3 — CID 529798

IUPACpropan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate
SMILESCCCC(NC(=O)C(F)(F)F)C(=O)OC(C)C
InChIInChI=1S/C10H16F3NO3/c1-4-5-7(8(15)17-6(2)3)14-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16)
InChIKeyDRNUDDOESVDZJT-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.79
Rot. Bonds5

About propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate

propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate (PubChem CID 529798) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate
PubChem CID529798
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namepropan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate
SMILESCCCC(NC(=O)C(F)(F)F)C(=O)OC(C)C
InChIInChI=1S/C10H16F3NO3/c1-4-5-7(8(15)17-6(2)3)14-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16)
InChIKeyDRNUDDOESVDZJT-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetylnorvaline methyl ester
CID 150916
methyl (2R)-2-acetamidopentanoate
CID 11041195
L-Lysine, N2,N6-bis(trifluoroacetyl)-, butyl ester
CID 13783339
Butan-2-yl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-D-alaninate
CID 91979311
Methyl N-(trifluoroacetyl)-L-leucinate
CID 14389998
L-Alanine, N-(trifluoroacetyl)-, butyl ester
CID 13783312
propan-2-yl (2S)-2-acetamidopentanoate
CID 90680449
N,O-Bis(2,2,2-trifluoroacetyl)-L-threonine methyl ester
CID 129659952
Aspartic acid, trifluoroacetyl-isopropyl ester
CID 6430287
l-Valine, n-heptafluorobutyryl-, propyl ester
CID 622604
Isoleucine, N-(heptafluorobutyryl) propyl ester
CID 6421031
l-Alanine, N-(heptafluorobutyryl)-, butyl ester
CID 6425702

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The IUPAC name of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate (CID 529798) is propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate.
What is the SMILES notation for propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The canonical SMILES for propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate is CCCC(NC(=O)C(F)(F)F)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The InChIKey is DRNUDDOESVDZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-4-5-7(8(15)17-6(2)3)14-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16).
What are the key properties of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate?
propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate has a molecular weight of 255.24 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanoate is sourced from PubChem (CID 529798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).