methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride

C11H21ClF3NO3 — CID 174688025

IUPACmethyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride
SMILESCCCN(CCC(F)(F)F)C(CCO)C(=O)OC.Cl
InChIInChI=1S/C11H20F3NO3.ClH/c1-3-6-15(7-5-11(12,13)14)9(4-8-16)10(17)18-2;/h9,16H,3-8H2,1-2H3;1H
InChIKeyZDZSSBICBSUTLO-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.00
Rot. Bonds8

About methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride

methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride (PubChem CID 174688025) has the molecular formula C11H21ClF3NO3 and a molecular weight of 307.74 g/mol. Its IUPAC name is methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride
PubChem CID174688025
Molecular FormulaC11H21ClF3NO3
Molecular Weight307.74 g/mol
Exact Mass307.12
IUPAC Namemethyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride
SMILESCCCN(CCC(F)(F)F)C(CCO)C(=O)OC.Cl
InChIInChI=1S/C11H20F3NO3.ClH/c1-3-6-15(7-5-11(12,13)14)9(4-8-16)10(17)18-2;/h9,16H,3-8H2,1-2H3;1H
InChIKeyZDZSSBICBSUTLO-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]propanoic acid
CID 134423704
(2S)-2-[(4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl)-methylamino]propanoic acid
CID 134423881
2-[Methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]propanoic acid
CID 145202628
(2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid
CID 150946959
Unk-N(Pr)Hse-OH.H-Ala(F3)-OH
CID 159284824
2-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanoic acid
CID 61818916
2-[Methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 61818917
2-[Methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 62639785
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanoic acid
CID 62826374
3-[Ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid
CID 63068818
4,4,4-Trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]butanoic acid
CID 63069019
3-[Bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
CID 63073159

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride?
The IUPAC name of methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride (CID 174688025) is methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride.
What is the SMILES notation for methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride?
The canonical SMILES for methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride is CCCN(CCC(F)(F)F)C(CCO)C(=O)OC.Cl.
What is the InChIKey of methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride?
The InChIKey is ZDZSSBICBSUTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3.ClH/c1-3-6-15(7-5-11(12,13)14)9(4-8-16)10(17)18-2;/h9,16H,3-8H2,1-2H3;1H.
What are the key properties of methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride?
methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride has a molecular weight of 307.74 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride is sourced from PubChem (CID 174688025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).