2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid

C14H21FN2O2 — CID 112586666

IUPAC2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(CC)c1ccc(F)cn1)C(=O)O
InChIInChI=1S/C14H21FN2O2/c1-4-8-14(3,13(18)19)17-11(5-2)12-7-6-10(15)9-16-12/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyBBFQITSLDXCEDM-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.90
Rot. Bonds7

About 2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid

2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid (PubChem CID 112586666) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid
PubChem CID112586666
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(CC)c1ccc(F)cn1)C(=O)O
InChIInChI=1S/C14H21FN2O2/c1-4-8-14(3,13(18)19)17-11(5-2)12-7-6-10(15)9-16-12/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyBBFQITSLDXCEDM-UHFFFAOYSA-N
XLogP2.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962
2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid
CID 65055646
4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid
CID 115938582
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103948352
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
CID 103949133

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid (CID 112586666) is 2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid is CCCC(C)(NC(CC)c1ccc(F)cn1)C(=O)O.
What is the InChIKey of 2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid?
The InChIKey is BBFQITSLDXCEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-8-14(3,13(18)19)17-11(5-2)12-7-6-10(15)9-16-12/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid?
2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid has a molecular weight of 268.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid is sourced from PubChem (CID 112586666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).