tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate

C16H25FN2O4 — CID 163387871

IUPACtert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate
SMILESCOc1cc(F)c(COC[C@@H](C)NC(=O)OC(C)(C)C)cc1N
InChIInChI=1S/C16H25FN2O4/c1-10(19-15(20)23-16(2,3)4)8-22-9-11-6-13(18)14(21-5)7-12(11)17/h6-7,10H,8-9,18H2,1-5H3,(H,19,20)/t10-/m1/s1
InChIKeyMYXPZTSWEROVFG-SNVBAGLBSA-N
MW328.38 g/mol
LogP2.85
Rot. Bonds6

About tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate (PubChem CID 163387871) has the molecular formula C16H25FN2O4 and a molecular weight of 328.38 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate
PubChem CID163387871
Molecular FormulaC16H25FN2O4
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Nametert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate
SMILESCOc1cc(F)c(COC[C@@H](C)NC(=O)OC(C)(C)C)cc1N
InChIInChI=1S/C16H25FN2O4/c1-10(19-15(20)23-16(2,3)4)8-22-9-11-6-13(18)14(21-5)7-12(11)17/h6-7,10H,8-9,18H2,1-5H3,(H,19,20)/t10-/m1/s1
InChIKeyMYXPZTSWEROVFG-SNVBAGLBSA-N
XLogP2.85
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]carbamate
CID 164786184
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate
CID 66706655
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 71077122
methyl 3-(2-fluoro-4-hydroxy-5-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 167089524
tert-butyl N-[(2S)-1-(sulfanylmethoxy)propan-2-yl]carbamate
CID 160711202
methyl 3-(4-fluoro-2,5-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156599431
tert-butyl N-[1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-yl]carbamate
CID 102794740
tert-butyl N-[1-(3-amino-4-fluorophenyl)propan-2-yl]carbamate
CID 84712221
tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
CID 177407603
tert-butyl N-[1-[[3-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]propan-2-yl]carbamate
CID 167100847
(2R)-3-[(2-methoxyphenyl)methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 69276432

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate (CID 163387871) is tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate is COc1cc(F)c(COC[C@@H](C)NC(=O)OC(C)(C)C)cc1N.
What is the InChIKey of tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate?
The InChIKey is MYXPZTSWEROVFG-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H25FN2O4/c1-10(19-15(20)23-16(2,3)4)8-22-9-11-6-13(18)14(21-5)7-12(11)17/h6-7,10H,8-9,18H2,1-5H3,(H,19,20)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate has a molecular weight of 328.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamate is sourced from PubChem (CID 163387871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).