N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide

C11H17N3O3 — CID 113426284

IUPACN-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
SMILESCC(CO)N(C)CC(=O)NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H17N3O3/c1-8(7-15)14(2)6-10(16)13-11(17)9-4-3-5-12-9/h3-5,8,12,15H,6-7H2,1-2H3,(H,13,16,17)
InChIKeyYCHPHGNEQJZAFP-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.42
Rot. Bonds5

About N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide

N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide (PubChem CID 113426284) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
PubChem CID113426284
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
SMILESCC(CO)N(C)CC(=O)NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H17N3O3/c1-8(7-15)14(2)6-10(16)13-11(17)9-4-3-5-12-9/h3-5,8,12,15H,6-7H2,1-2H3,(H,13,16,17)
InChIKeyYCHPHGNEQJZAFP-UHFFFAOYSA-N
XLogP-0.42
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 62686626
N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]furan-2-carboxamide
CID 104554025
N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 115319258
2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43795802
N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115765120
ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate
CID 62026376
2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43433568
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343
N-[2-(2-hydroxyethylsulfanyl)acetyl]-1H-pyrrole-2-carboxamide
CID 43502574
N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
CID 166130167
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide (CID 113426284) is N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide is CC(CO)N(C)CC(=O)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
The InChIKey is YCHPHGNEQJZAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(7-15)14(2)6-10(16)13-11(17)9-4-3-5-12-9/h3-5,8,12,15H,6-7H2,1-2H3,(H,13,16,17).
What are the key properties of N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 113426284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).