tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate

C10H15NO3 — CID 174924882

IUPACtert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1[nH]ccc1O
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(13)6-7-8(12)4-5-11-7/h4-5,11-12H,6H2,1-3H3
InChIKeyLONMMNSIKVAKNZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.60
Rot. Bonds2

About tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate

tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate (PubChem CID 174924882) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate
PubChem CID174924882
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nametert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1[nH]ccc1O
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(13)6-7-8(12)4-5-11-7/h4-5,11-12H,6H2,1-3H3
InChIKeyLONMMNSIKVAKNZ-UHFFFAOYSA-N
XLogP1.60
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate?
The IUPAC name of tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate (CID 174924882) is tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate is CC(C)(C)OC(=O)Cc1[nH]ccc1O.
What is the InChIKey of tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate?
The InChIKey is LONMMNSIKVAKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)6-7-8(12)4-5-11-7/h4-5,11-12H,6H2,1-3H3.
What are the key properties of tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate?
tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate has a molecular weight of 197.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-hydroxy-1H-pyrrol-2-yl)acetate is sourced from PubChem (CID 174924882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).