methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate

C14H18FNO4 — CID 71568973

IUPACmethyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate
SMILESCOC(=O)N(Cc1ccc(F)cc1)C(C)(C)C(=O)OC
InChIInChI=1S/C14H18FNO4/c1-14(2,12(17)19-3)16(13(18)20-4)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
InChIKeyCIYBQAKSGNSXNT-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate

methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate (PubChem CID 71568973) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate
PubChem CID71568973
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate
SMILESCOC(=O)N(Cc1ccc(F)cc1)C(C)(C)C(=O)OC
InChIInChI=1S/C14H18FNO4/c1-14(2,12(17)19-3)16(13(18)20-4)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
InChIKeyCIYBQAKSGNSXNT-UHFFFAOYSA-N
XLogP2.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diethyl benzyliminodiacetate
CID 5235503
Ethyl 2-(benzyl((tert-butoxy)carbonyl)amino)acetate
CID 10565655
(S)-methyl 2-(3-(2-fluorobenzyl)ureido)propanoate
CID 5389876
(2R,5R)-2-benzyl-1-methoxycarbonyl-5-methyl-2H-pyrrole-5-carboxylic acid
CID 5459716
(S)-methyl 2-(3-(4-fluorobenzyl)ureido)propanoate
CID 5389764
Benzyl(2-ethoxy-2-oxoethyl)dimethylazanium
CID 3616440
ethyl N-benzyl-N-methyloxamate
CID 124872
N-Acetyl-N-benzylglycine
CID 302089
2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide
CID 36079
Ethyl 2-[benzyl(2-oxopropyl)amino]acetate
CID 11459339
2-(N-benzyl-2,2,2-trifluoroacetamido)acetic acid
CID 1797327
Ethyl 2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanoate
CID 16027898

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate (CID 71568973) is methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate is COC(=O)N(Cc1ccc(F)cc1)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate?
The InChIKey is CIYBQAKSGNSXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-14(2,12(17)19-3)16(13(18)20-4)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate?
methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate has a molecular weight of 283.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methyl-methoxycarbonylamino]-2-methylpropanoate is sourced from PubChem (CID 71568973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).