1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid

C15H22N2O4 — CID 47003148

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyRVYWWQANMITGFR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.76
Rot. Bonds2

About 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid (PubChem CID 47003148) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid
PubChem CID47003148
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyRVYWWQANMITGFR-UHFFFAOYSA-N
XLogP2.76
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid (CID 47003148) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)O)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid?
The InChIKey is RVYWWQANMITGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 47003148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).