ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate

C14H18FNO3 — CID 10587890

IUPACethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate
SMILESCCOC(=O)[C@@](C)(Cc1cccc(F)c1)NC(C)=O
InChIInChI=1S/C14H18FNO3/c1-4-19-13(18)14(3,16-10(2)17)9-11-6-5-7-12(15)8-11/h5-8H,4,9H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyYQNCOGKXNRRDCI-CQSZACIVSA-N
MW267.30 g/mol
LogP1.83
Rot. Bonds5

About ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate

ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate (PubChem CID 10587890) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate
PubChem CID10587890
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nameethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate
SMILESCCOC(=O)[C@@](C)(Cc1cccc(F)c1)NC(C)=O
InChIInChI=1S/C14H18FNO3/c1-4-19-13(18)14(3,16-10(2)17)9-11-6-5-7-12(15)8-11/h5-8H,4,9H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyYQNCOGKXNRRDCI-CQSZACIVSA-N
XLogP1.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide
CID 10799935
ethyl 2-(3-fluoroanilino)-2-methylpentanoate
CID 54890603
ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate
CID 102009919
methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
CID 114832026
3-(3-fluorophenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 114832162
ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate
CID 60994033
2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide
CID 114831942
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
[(2S)-1-(3-fluorophenyl)-2-(hydroxymethyl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 67069204
ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
CID 55134787
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858
ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate
CID 129262497

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate?
The IUPAC name of ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate (CID 10587890) is ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate?
The canonical SMILES for ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate is CCOC(=O)[C@@](C)(Cc1cccc(F)c1)NC(C)=O.
What is the InChIKey of ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate?
The InChIKey is YQNCOGKXNRRDCI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-4-19-13(18)14(3,16-10(2)17)9-11-6-5-7-12(15)8-11/h5-8H,4,9H2,1-3H3,(H,16,17)/t14-/m1/s1.
What are the key properties of ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate?
ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate has a molecular weight of 267.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate is sourced from PubChem (CID 10587890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).