tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate

C15H23NO3 — CID 58105232

IUPACtert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate
SMILESCC(C)(C)OC(=O)CCCCc1cccc(CO)n1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(18)10-5-4-7-12-8-6-9-13(11-17)16-12/h6,8-9,17H,4-5,7,10-11H2,1-3H3
InChIKeyMTTADUZFWIXDST-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.63
Rot. Bonds6

About tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate

tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate (PubChem CID 58105232) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate.

Molecular Properties

Compound Nametert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate
PubChem CID58105232
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate
SMILESCC(C)(C)OC(=O)CCCCc1cccc(CO)n1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(18)10-5-4-7-12-8-6-9-13(11-17)16-12/h6,8-9,17H,4-5,7,10-11H2,1-3H3
InChIKeyMTTADUZFWIXDST-UHFFFAOYSA-N
XLogP2.63
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 91140036
ditert-butyl pentanedioate
CID 3016405
[1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 150360244
tert-butyl 16-hydroxyhexadecanoate
CID 118542708
methyl 9-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]nonanoate
CID 90307656
tert-butyl 5-[6-[[4-(4-acetyl-2-aminophenyl)-6-amino-5-cyanopyrimidin-2-yl]sulfanylmethyl]-2-pyridinyl]pentanoate
CID 66852219
tert-butyl 7-(3-phenylpropanoylsulfanyl)heptanoate
CID 163269959
tert-butyl N-[3-(6-bromo-2-pyridinyl)propyl]carbamate
CID 125470334
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl 6-hydroxy-6-methylheptanoate
CID 118561760
tert-butyl 19-trichlorosilylnonadecanoate
CID 164896997
tert-butyl 4-[4-(hydroxymethyl)-3-methylphenyl]butanoate
CID 158315004

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate?
The IUPAC name of tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate (CID 58105232) is tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate.
What is the SMILES notation for tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate?
The canonical SMILES for tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate is CC(C)(C)OC(=O)CCCCc1cccc(CO)n1.
What is the InChIKey of tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate?
The InChIKey is MTTADUZFWIXDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-14(18)10-5-4-7-12-8-6-9-13(11-17)16-12/h6,8-9,17H,4-5,7,10-11H2,1-3H3.
What are the key properties of tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate?
tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate has a molecular weight of 265.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[6-(hydroxymethyl)-2-pyridinyl]pentanoate is sourced from PubChem (CID 58105232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).