tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate

C18H26FN3O4 — CID 13001867

IUPACtert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate
SMILESCCN(C(=O)CNC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C18H26FN3O4/c1-5-22(15(23)11-21-17(25)26-18(2,3)4)14(16(20)24)10-12-6-8-13(19)9-7-12/h6-9,14H,5,10-11H2,1-4H3,(H2,20,24)(H,21,25)/t14-/m0/s1
InChIKeyUNAFOQVOUUPVAY-AWEZNQCLSA-N
MW367.42 g/mol
LogP1.60
Rot. Bonds7

About tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate (PubChem CID 13001867) has the molecular formula C18H26FN3O4 and a molecular weight of 367.42 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate
PubChem CID13001867
Molecular FormulaC18H26FN3O4
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Nametert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate
SMILESCCN(C(=O)CNC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C18H26FN3O4/c1-5-22(15(23)11-21-17(25)26-18(2,3)4)14(16(20)24)10-12-6-8-13(19)9-7-12/h6-9,14H,5,10-11H2,1-4H3,(H2,20,24)(H,21,25)/t14-/m0/s1
InChIKeyUNAFOQVOUUPVAY-AWEZNQCLSA-N
XLogP1.60
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

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tert-butyl 3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl (2S)-3-(4-fluorophenyl)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
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tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
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ethyl 3-[[2-[ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-phenylacetyl]amino]propanoate
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tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
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tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
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tert-butyl N-[3-amino-2-[(4-fluorophenyl)methyl-methylamino]propyl]carbamate
CID 102729687
methyl 2-[[2-[ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-(4-methylphenyl)acetyl]amino]acetate
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tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
tert-butyl N-[2-[[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-ethylamino]-2-oxoethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate (CID 13001867) is tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate is CCN(C(=O)CNC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1)C(N)=O.
What is the InChIKey of tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate?
The InChIKey is UNAFOQVOUUPVAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26FN3O4/c1-5-22(15(23)11-21-17(25)26-18(2,3)4)14(16(20)24)10-12-6-8-13(19)9-7-12/h6-9,14H,5,10-11H2,1-4H3,(H2,20,24)(H,21,25)/t14-/m0/s1.
What are the key properties of tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate has a molecular weight of 367.42 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 13001867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).