4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid

C15H25NO7 — CID 90157329

IUPAC4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)CC1C2OC(C)(C)OC2C(CO)N1C(=O)O
InChIInChI=1S/C15H25NO7/c1-14(2,3)21-10(18)6-8-11-12(23-15(4,5)22-11)9(7-17)16(8)13(19)20/h8-9,11-12,17H,6-7H2,1-5H3,(H,19,20)
InChIKeyCATUQTXUVOIDDO-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.96
Rot. Bonds3

About 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid

4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid (PubChem CID 90157329) has the molecular formula C15H25NO7 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid
PubChem CID90157329
Molecular FormulaC15H25NO7
Molecular Weight331.37 g/mol
Exact Mass331.16
IUPAC Name4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)CC1C2OC(C)(C)OC2C(CO)N1C(=O)O
InChIInChI=1S/C15H25NO7/c1-14(2,3)21-10(18)6-8-11-12(23-15(4,5)22-11)9(7-17)16(8)13(19)20/h8-9,11-12,17H,6-7H2,1-5H3,(H,19,20)
InChIKeyCATUQTXUVOIDDO-UHFFFAOYSA-N
XLogP0.96
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid?
The IUPAC name of 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid (CID 90157329) is 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid is CC(C)(C)OC(=O)CC1C2OC(C)(C)OC2C(CO)N1C(=O)O.
What is the InChIKey of 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid?
The InChIKey is CATUQTXUVOIDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO7/c1-14(2,3)21-10(18)6-8-11-12(23-15(4,5)22-11)9(7-17)16(8)13(19)20/h8-9,11-12,17H,6-7H2,1-5H3,(H,19,20).
What are the key properties of 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid?
4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 90157329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).