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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
CID 43409093
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
(2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153771
4-acetyl-N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119598253
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 83039564
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
CID 119430794
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243298
(2S)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 114006451
4-acetyl-N-[3-(2-hydroxyethoxy)propyl]-1-methylpyrrole-2-carboxamide
CID 103993134
4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 63311485
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107846675

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).