[1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate

C16H24FNO2 — CID 15703344

IUPAC[1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-11(2)9-14(18)15(19)20-16(3,4)10-12-5-7-13(17)8-6-12/h5-8,11,14H,9-10,18H2,1-4H3/t14-/m0/s1
InChIKeyCDHKFGHSJLMVLQ-AWEZNQCLSA-N
MW281.37 g/mol
LogP3.06
Rot. Bonds6

About [1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate

[1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate (PubChem CID 15703344) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate
PubChem CID15703344
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name[1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-11(2)9-14(18)15(19)20-16(3,4)10-12-5-7-13(17)8-6-12/h5-8,11,14H,9-10,18H2,1-4H3/t14-/m0/s1
InChIKeyCDHKFGHSJLMVLQ-AWEZNQCLSA-N
XLogP3.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate?
The IUPAC name of [1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate (CID 15703344) is [1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for [1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for [1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)OC(C)(C)Cc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate?
The InChIKey is CDHKFGHSJLMVLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-11(2)9-14(18)15(19)20-16(3,4)10-12-5-7-13(17)8-6-12/h5-8,11,14H,9-10,18H2,1-4H3/t14-/m0/s1.
What are the key properties of [1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate?
[1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate has a molecular weight of 281.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 15703344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).