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

C14H20FNO2 — CID 83041949

IUPAC2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
SMILESCCCC(NC(C)Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-3-4-13(14(17)18)16-10(2)9-11-5-7-12(15)8-6-11/h5-8,10,13,16H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyLWZMMIOHNBXZLL-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.60
Rot. Bonds7

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

2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid (PubChem CID 83041949) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
PubChem CID83041949
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
SMILESCCCC(NC(C)Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-3-4-13(14(17)18)16-10(2)9-11-5-7-12(15)8-6-11/h5-8,10,13,16H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyLWZMMIOHNBXZLL-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid
CID 82257201
2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid
CID 114829624
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate
CID 104928180
2-(1-phenylpropan-2-ylamino)hexanoic acid
CID 103250487
1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride
CID 22297830
N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine
CID 63462583
(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid
CID 93252359
N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 62996918
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
CID 114829888
2-[4-(4-methoxyphenyl)butan-2-ylamino]pentanoic acid
CID 65055651
(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
CID 121488314
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid (CID 83041949) is 2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid is CCCC(NC(C)Cc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid?
The InChIKey is LWZMMIOHNBXZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-4-13(14(17)18)16-10(2)9-11-5-7-12(15)8-6-11/h5-8,10,13,16H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid?
2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.60, 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]pentanoic acid is sourced from PubChem (CID 83041949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).