2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid

C14H20FNO2 — CID 68854962

IUPAC2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NCc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-10(2)8-14(3,13(17)18)16-9-11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyMIWPNURHHJMFEJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.80
Rot. Bonds6

About 2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid

2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid (PubChem CID 68854962) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid
PubChem CID68854962
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NCc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-10(2)8-14(3,13(17)18)16-9-11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyMIWPNURHHJMFEJ-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid
CID 46892248
2-[(4-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 16788213
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706231
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149275
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide
CID 111448324
(3S)-3-[(4-fluorophenyl)methylamino]butanoic acid
CID 69228997
2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 114832037
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765
2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
CID 61341230
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid (CID 68854962) is 2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid is CC(C)CC(C)(NCc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid?
The InChIKey is MIWPNURHHJMFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(2)8-14(3,13(17)18)16-9-11-4-6-12(15)7-5-11/h4-7,10,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid?
2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid is sourced from PubChem (CID 68854962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).