tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate

C14H18FNO3 — CID 142321737

IUPACtert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate
SMILESCC(C)(C)OC(=O)C(Cc1ccccc1F)NC=O
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)12(16-9-17)8-10-6-4-5-7-11(10)15/h4-7,9,12H,8H2,1-3H3,(H,16,17)
InChIKeyLAAOGKXUJUXJCM-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.82
Rot. Bonds5

About tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate

tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate (PubChem CID 142321737) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate
PubChem CID142321737
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate
SMILESCC(C)(C)OC(=O)C(Cc1ccccc1F)NC=O
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)12(16-9-17)8-10-6-4-5-7-11(10)15/h4-7,9,12H,8H2,1-3H3,(H,16,17)
InChIKeyLAAOGKXUJUXJCM-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7020831
tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate
CID 76826502
tert-butyl (2S)-3-(2-fluorophenyl)-2-[[(2R,3S,6S)-3-methoxy-2,6-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]octanoyl]amino]propanoate
CID 122494741
(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 58458324
tert-butyl (2R)-2-(hydroxyamino)-3-phenylpropanoate;oxalic acid
CID 46867571
tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate
CID 77156771
tert-butyl (2S)-3-(4-amino-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 178056802
4-(2-fluorophenyl)-3-(methylamino)butan-2-one
CID 76637468
tert-butyl (2S)-2-amino-3-(2-fluorophenyl)-2-methylpropanoate
CID 101249448
tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate
CID 107245256
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
tert-butyl 2-formamido-4-methylpent-4-enoate
CID 10353162

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate?
The IUPAC name of tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate (CID 142321737) is tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate.
What is the SMILES notation for tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate?
The canonical SMILES for tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate is CC(C)(C)OC(=O)C(Cc1ccccc1F)NC=O.
What is the InChIKey of tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate?
The InChIKey is LAAOGKXUJUXJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)12(16-9-17)8-10-6-4-5-7-11(10)15/h4-7,9,12H,8H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate?
tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate has a molecular weight of 267.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate is sourced from PubChem (CID 142321737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).