4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide

C12H18N2O5 — CID 107845337

IUPAC4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NC(CO)(CO)CO)n(C)c1
InChIInChI=1S/C12H18N2O5/c1-8(18)9-3-10(14(2)4-9)11(19)13-12(5-15,6-16)7-17/h3-4,15-17H,5-7H2,1-2H3,(H,13,19)
InChIKeyATPRSDZTSMGTIH-UHFFFAOYSA-N
MW270.28 g/mol
LogP-1.33
Rot. Bonds6

About 4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide

4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 107845337) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
PubChem CID107845337
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NC(CO)(CO)CO)n(C)c1
InChIInChI=1S/C12H18N2O5/c1-8(18)9-3-10(14(2)4-9)11(19)13-12(5-15,6-16)7-17/h3-4,15-17H,5-7H2,1-2H3,(H,13,19)
InChIKeyATPRSDZTSMGTIH-UHFFFAOYSA-N
XLogP-1.33
TPSA111.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide (CID 107845337) is 4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NC(CO)(CO)CO)n(C)c1.
What is the InChIKey of 4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is ATPRSDZTSMGTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-8(18)9-3-10(14(2)4-9)11(19)13-12(5-15,6-16)7-17/h3-4,15-17H,5-7H2,1-2H3,(H,13,19).
What are the key properties of 4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide?
4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 270.28 g/mol, XLogP of -1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 107845337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).