methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate

C14H25F3N2O3 — CID 163647065

IUPACmethyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)[C@H](N)CC(C)(C)C(F)(F)F
InChIInChI=1S/C14H25F3N2O3/c1-8(2)6-10(12(21)22-5)19-11(20)9(18)7-13(3,4)14(15,16)17/h8-10H,6-7,18H2,1-5H3,(H,19,20)/t9-,10?/m1/s1
InChIKeyIJDFGIDKTACPGC-YHMJZVADSA-N
MW326.36 g/mol
LogP2.00
Rot. Bonds7

About methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate

methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate (PubChem CID 163647065) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate
PubChem CID163647065
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Namemethyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)[C@H](N)CC(C)(C)C(F)(F)F
InChIInChI=1S/C14H25F3N2O3/c1-8(2)6-10(12(21)22-5)19-11(20)9(18)7-13(3,4)14(15,16)17/h8-10H,6-7,18H2,1-5H3,(H,19,20)/t9-,10?/m1/s1
InChIKeyIJDFGIDKTACPGC-YHMJZVADSA-N
XLogP2.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate (CID 163647065) is methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)[C@H](N)CC(C)(C)C(F)(F)F.
What is the InChIKey of methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate?
The InChIKey is IJDFGIDKTACPGC-YHMJZVADSA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-8(2)6-10(12(21)22-5)19-11(20)9(18)7-13(3,4)14(15,16)17/h8-10H,6-7,18H2,1-5H3,(H,19,20)/t9-,10?/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate?
methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate has a molecular weight of 326.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-amino-5,5,5-trifluoro-4,4-dimethylpentanoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 163647065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).