(2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid

C15H20FNO3 — CID 142046226

IUPAC(2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid
SMILESCC(C)C(N)C(=O)C[C@@H](Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-9(2)14(17)13(18)8-11(15(19)20)7-10-3-5-12(16)6-4-10/h3-6,9,11,14H,7-8,17H2,1-2H3,(H,19,20)/t11-,14?/m1/s1
InChIKeyPTYUBXNQXDNARI-YNODCEANSA-N
MW281.33 g/mol
LogP2.01
Rot. Bonds7

About (2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid

(2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid (PubChem CID 142046226) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid
PubChem CID142046226
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid
SMILESCC(C)C(N)C(=O)C[C@@H](Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-9(2)14(17)13(18)8-11(15(19)20)7-10-3-5-12(16)6-4-10/h3-6,9,11,14H,7-8,17H2,1-2H3,(H,19,20)/t11-,14?/m1/s1
InChIKeyPTYUBXNQXDNARI-YNODCEANSA-N
XLogP2.01
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-5-amino-2-[(4-fluorophenyl)methyl]-4-oxohexanoic acid;(2R,5S)-5-amino-2-[(4-fluorophenyl)methyl]-4-oxohexanoic acid
CID 161210604
(5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid
CID 158593850
(2S,5S,6S)-5-amino-2-benzyl-6-methyl-4-oxooctanoic acid
CID 10401284
2-[(2-amino-3-methylbutanoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 155171197
2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
CID 54270409
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
CID 65477236
2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid
CID 79418299
(2R,5S)-5-amino-2-benzyl-7-methyl-4-oxooctanoic acid
CID 67477139
(5S)-2-benzyl-5-hydroxy-4-oxohexanoic acid
CID 176961805

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid?
The IUPAC name of (2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid (CID 142046226) is (2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid is CC(C)C(N)C(=O)C[C@@H](Cc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid?
The InChIKey is PTYUBXNQXDNARI-YNODCEANSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9(2)14(17)13(18)8-11(15(19)20)7-10-3-5-12(16)6-4-10/h3-6,9,11,14H,7-8,17H2,1-2H3,(H,19,20)/t11-,14?/m1/s1.
What are the key properties of (2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid?
(2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid is sourced from PubChem (CID 142046226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).