methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate

C10H18F3NO3 — CID 63900664

IUPACmethyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-6(2)4-7(9(16)17-3)14-5-8(15)10(11,12)13/h6-8,14-15H,4-5H2,1-3H3
InChIKeyFURYPIRSOJGNJE-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.09
Rot. Bonds6

About methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate

methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate (PubChem CID 63900664) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate
PubChem CID63900664
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Namemethyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-6(2)4-7(9(16)17-3)14-5-8(15)10(11,12)13/h6-8,14-15H,4-5H2,1-3H3
InChIKeyFURYPIRSOJGNJE-UHFFFAOYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate
CID 63934425
methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate
CID 104644259
methyl 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentanoate
CID 103033254
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030
methyl 2-[(4-tert-butylphenyl)methylamino]-4-methylpentanoate
CID 43231003
2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103755898
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
CID 166823747
methyl 4-methyl-2-[(3-methyl-2-phenylbutyl)amino]pentanoate
CID 107875948

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate (CID 63900664) is methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate is COC(=O)C(CC(C)C)NCC(O)C(F)(F)F.
What is the InChIKey of methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate?
The InChIKey is FURYPIRSOJGNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-6(2)4-7(9(16)17-3)14-5-8(15)10(11,12)13/h6-8,14-15H,4-5H2,1-3H3.
What are the key properties of methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate?
methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate has a molecular weight of 257.25 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate is sourced from PubChem (CID 63900664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).