tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate

C15H21FN2O2 — CID 140862988

IUPACtert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(N2CC[C@H](F)C2)nc1
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)8-11-4-5-13(17-9-11)18-7-6-12(16)10-18/h4-5,9,12H,6-8,10H2,1-3H3/t12-/m0/s1
InChIKeyATLBXQDETJYLIJ-LBPRGKRZSA-N
MW280.34 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate

tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate (PubChem CID 140862988) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate
PubChem CID140862988
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Nametert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(N2CC[C@H](F)C2)nc1
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)8-11-4-5-13(17-9-11)18-7-6-12(16)10-18/h4-5,9,12H,6-8,10H2,1-3H3/t12-/m0/s1
InChIKeyATLBXQDETJYLIJ-LBPRGKRZSA-N
XLogP2.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-Aminopyridin-3-yl)acetic acid
CID 12562075
2-Amino-3-pyridineacetic acid
CID 14739552
3-[2-(Diethylamino)-4-pyridyl]propanoic acid
CID 90487991
2-(6-{[(Tert-butoxy)carbonyl]amino}pyridin-3-yl)acetic acid
CID 53401511
2-(6-Aminopyridin-3-yl)-2-methylpropanoic acid hydrochloride
CID 67130849
2-(2-(((Tert-butoxy)carbonyl)amino)pyridin-3-yl)acetic acid
CID 75525935
Ethyl 1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
CID 57360961
Ethyl 1-(5-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylate
CID 4737360
Potassium 2-(6-aminopyridin-3-yl)-2-methylpropanoate
CID 155859025
3-[2-(Pyrrolidin-1-YL)pyridin-4-YL]propanoic acid
CID 82661762
1-(1-(3-(Trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)ethanone
CID 119103615
methyl (3R,4S)-4-(2,4-difluorophenyl)-1-pyridin-2-ylpyrrolidine-3-carboxylate
CID 121547226

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate?
The IUPAC name of tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate (CID 140862988) is tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate.
What is the SMILES notation for tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate?
The canonical SMILES for tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate is CC(C)(C)OC(=O)Cc1ccc(N2CC[C@H](F)C2)nc1.
What is the InChIKey of tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate?
The InChIKey is ATLBXQDETJYLIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)8-11-4-5-13(17-9-11)18-7-6-12(16)10-18/h4-5,9,12H,6-8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate?
tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate has a molecular weight of 280.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetate is sourced from PubChem (CID 140862988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).