2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid

C15H22FNO2 — CID 114829624

IUPAC2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(C)Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H22FNO2/c1-10(2)8-14(15(18)19)17-11(3)9-12-4-6-13(16)7-5-12/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyRDYSSZPIEAZGIN-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.85
Rot. Bonds7

About 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid

2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid (PubChem CID 114829624) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid
PubChem CID114829624
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(C)Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H22FNO2/c1-10(2)8-14(15(18)19)17-11(3)9-12-4-6-13(16)7-5-12/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyRDYSSZPIEAZGIN-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
3-(4-hydroxyphenyl)-2-(4-methylpentan-2-ylamino)propanoic acid
CID 114284796
(2S)-2-[[(2S)-2-acetamido-3-(4-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid
CID 2282609
methyl N-[1-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47077305
2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 3676816
2-[3-(4-fluorophenyl)propanoylamino]-4-methylpentanoic acid
CID 43092855
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
2-[1-(4-fluorophenyl)propan-2-ylcarbamoylamino]propanoic acid
CID 62997070
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate
CID 104928180
(2S)-3-[4-(4-fluorophenyl)phenyl]-2-(methylamino)propanoic acid
CID 162376814
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]-3-methylbutanoate
CID 114828492
(2S)-2-[[(2S)-1,1-dihydroxy-3-phenylpropan-2-yl]amino]-4-methylpentanoic acid
CID 142163724

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid (CID 114829624) is 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid is CC(C)CC(NC(C)Cc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid?
The InChIKey is RDYSSZPIEAZGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(2)8-14(15(18)19)17-11(3)9-12-4-6-13(16)7-5-12/h4-7,10-11,14,17H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid?
2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid has a molecular weight of 267.34 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid is sourced from PubChem (CID 114829624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).