tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate

C11H23FN2O3 — CID 138694050

IUPACtert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate
SMILESCC(OCCNC(=O)OC(C)(C)C)C(F)CN
InChIInChI=1S/C11H23FN2O3/c1-8(9(12)7-13)16-6-5-14-10(15)17-11(2,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyMENHEQNKMHFSMO-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.21
Rot. Bonds6

About tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate

tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate (PubChem CID 138694050) has the molecular formula C11H23FN2O3 and a molecular weight of 250.31 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate
PubChem CID138694050
Molecular FormulaC11H23FN2O3
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate
SMILESCC(OCCNC(=O)OC(C)(C)C)C(F)CN
InChIInChI=1S/C11H23FN2O3/c1-8(9(12)7-13)16-6-5-14-10(15)17-11(2,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyMENHEQNKMHFSMO-UHFFFAOYSA-N
XLogP1.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[2-[2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]butyl]carbamate
CID 170533735
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
CID 175626004
tert-butyl N-[2-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 155680675
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[3-(1-aminopropan-2-ylamino)propyl]carbamate
CID 107241253
tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
CID 102729842
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate
CID 102730394
tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 138695989

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate (CID 138694050) is tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate is CC(OCCNC(=O)OC(C)(C)C)C(F)CN.
What is the InChIKey of tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate?
The InChIKey is MENHEQNKMHFSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O3/c1-8(9(12)7-13)16-6-5-14-10(15)17-11(2,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate?
tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate has a molecular weight of 250.31 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate is sourced from PubChem (CID 138694050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).