methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate

C13H18FNO3 — CID 100979816

IUPACmethyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@](C)(CF)NCc1ccc(OC)cc1
InChIInChI=1S/C13H18FNO3/c1-13(9-14,12(16)18-3)15-8-10-4-6-11(17-2)7-5-10/h4-7,15H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyKDKQFJHLQLHRIB-ZDUSSCGKSA-N
MW255.29 g/mol
LogP1.69
Rot. Bonds6

About methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate

methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate (PubChem CID 100979816) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
PubChem CID100979816
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Namemethyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@](C)(CF)NCc1ccc(OC)cc1
InChIInChI=1S/C13H18FNO3/c1-13(9-14,12(16)18-3)15-8-10-4-6-11(17-2)7-5-10/h4-7,15H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyKDKQFJHLQLHRIB-ZDUSSCGKSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-3-cyano-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 100979814
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
2-[(4-methoxyphenyl)methylamino]-2-methylpropanamide
CID 61212921
methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 104643690
[(4-methoxyphenyl)methylamino] 2,2,2-trifluoroacetate
CID 87974565
2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
1-chloro-N-[(4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026790
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 62833195
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331447

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate (CID 100979816) is methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate is COC(=O)[C@](C)(CF)NCc1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate?
The InChIKey is KDKQFJHLQLHRIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-13(9-14,12(16)18-3)15-8-10-4-6-11(17-2)7-5-10/h4-7,15H,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate?
methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate has a molecular weight of 255.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 100979816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).