2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate

C14H20FNO2 — CID 71097090

IUPAC2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OCCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-10(2)9-13(16)14(17)18-8-7-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3/t13-/m0/s1
InChIKeyFBHCNICQIBDISL-ZDUSSCGKSA-N
MW253.32 g/mol
LogP2.28
Rot. Bonds6

About 2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate

2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate (PubChem CID 71097090) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate
PubChem CID71097090
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OCCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-10(2)9-13(16)14(17)18-8-7-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3/t13-/m0/s1
InChIKeyFBHCNICQIBDISL-ZDUSSCGKSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate?
The IUPAC name of 2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate (CID 71097090) is 2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for 2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for 2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)OCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate?
The InChIKey is FBHCNICQIBDISL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(2)9-13(16)14(17)18-8-7-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate?
2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate has a molecular weight of 253.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethyl (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 71097090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).