methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate

C14H21FN2O2 — CID 103936815

IUPACmethyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
SMILESCCC(N[C@H](C(=O)OC)C(C)C)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O2/c1-5-11(12-7-6-10(15)8-16-12)17-13(9(2)3)14(18)19-4/h6-9,11,13,17H,5H2,1-4H3/t11?,13-/m0/s1
InChIKeySONAQZRRETUKTJ-YUZLPWPTSA-N
MW268.33 g/mol
LogP2.46
Rot. Bonds6

About methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate

methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate (PubChem CID 103936815) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
PubChem CID103936815
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Namemethyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
SMILESCCC(N[C@H](C(=O)OC)C(C)C)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O2/c1-5-11(12-7-6-10(15)8-16-12)17-13(9(2)3)14(18)19-4/h6-9,11,13,17H,5H2,1-4H3/t11?,13-/m0/s1
InChIKeySONAQZRRETUKTJ-YUZLPWPTSA-N
XLogP2.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate
CID 83128638
methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 114158466
methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate
CID 60722003
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate (CID 103936815) is methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate is CCC(N[C@H](C(=O)OC)C(C)C)c1ccc(F)cn1.
What is the InChIKey of methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate?
The InChIKey is SONAQZRRETUKTJ-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-5-11(12-7-6-10(15)8-16-12)17-13(9(2)3)14(18)19-4/h6-9,11,13,17H,5H2,1-4H3/t11?,13-/m0/s1.
What are the key properties of methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate?
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate has a molecular weight of 268.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate is sourced from PubChem (CID 103936815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).