tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate

C14H19FN2O3 — CID 67083616

IUPACtert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)Cc1ccc(F)c(N)c1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(19)8-17-12(18)7-9-4-5-10(15)11(16)6-9/h4-6H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyNFNXVLBJSQLGKI-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.41
Rot. Bonds4

About tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate

tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate (PubChem CID 67083616) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate
PubChem CID67083616
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Nametert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)Cc1ccc(F)c(N)c1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(19)8-17-12(18)7-9-4-5-10(15)11(16)6-9/h4-6H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyNFNXVLBJSQLGKI-UHFFFAOYSA-N
XLogP1.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(3-amino-4-fluorophenyl)propan-2-yl]carbamate
CID 84712221
N-[(3-amino-4-fluorophenyl)methyl]acetamide
CID 89277317
2-(4-bromophenyl)acetic acid;tert-butyl 2-[[2-(4-bromophenyl)acetyl]amino]acetate
CID 160789359
tert-butyl (3R)-3-(3-amino-4-fluorophenyl)butanoate
CID 58288302
tert-butyl 2-[(3-bromo-4-fluorophenyl)methylamino]acetate
CID 78994243
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
tert-butyl N-[3-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]propyl]carbamate
CID 176515908
tert-butyl 2-[(3-aminobenzoyl)amino]acetate
CID 20745560
(2R)-2-[(3-amino-4-fluorophenyl)methyl]-2-methylbutanoic acid
CID 67215910
methyl (2S)-2-amino-3-(3-amino-4-fluorophenyl)propanoate
CID 171238427
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate (CID 67083616) is tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate is CC(C)(C)OC(=O)CNC(=O)Cc1ccc(F)c(N)c1.
What is the InChIKey of tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate?
The InChIKey is NFNXVLBJSQLGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,3)20-13(19)8-17-12(18)7-9-4-5-10(15)11(16)6-9/h4-6H,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate?
tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate has a molecular weight of 282.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate is sourced from PubChem (CID 67083616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).