N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide

C12H19N3O5 — CID 91445769

IUPACN-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide
SMILESCC(CC(=O)NCCO)C(=O)Nc1cc(O)n(C)c1O
InChIInChI=1S/C12H19N3O5/c1-7(5-9(17)13-3-4-16)11(19)14-8-6-10(18)15(2)12(8)20/h6-7,16,18,20H,3-5H2,1-2H3,(H,13,17)(H,14,19)
InChIKeyFMXZTEDYFAWWOD-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.49
Rot. Bonds6

About N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide

N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide (PubChem CID 91445769) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide.

Molecular Properties

Compound NameN-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide
PubChem CID91445769
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC NameN-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide
SMILESCC(CC(=O)NCCO)C(=O)Nc1cc(O)n(C)c1O
InChIInChI=1S/C12H19N3O5/c1-7(5-9(17)13-3-4-16)11(19)14-8-6-10(18)15(2)12(8)20/h6-7,16,18,20H,3-5H2,1-2H3,(H,13,17)(H,14,19)
InChIKeyFMXZTEDYFAWWOD-UHFFFAOYSA-N
XLogP-0.49
TPSA123.82 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide
CID 91065552
2-[[(3-acetamido-2,5-dihydroxypyrrol-1-yl)methyl-ethoxyphosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide
CID 53755858
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 54206817
(3-acetamido-2,5-dihydroxypyrrol-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid
CID 54460483
3-Amino-1-(2-methoxyethyl)pyrrole-2,5-diol
CID 90685159
Methyl 2-(butan-2-ylamino)-4-[[5-[3-(butan-2-ylamino)-2,5-dihydroxypyrrol-1-yl]-4-methylpentyl]amino]-4-oxobutanoate
CID 90725969
N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide
CID 90757996
N-[1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]-2,5-dihydroxypyrrol-3-yl]-N-pentylpropanamide
CID 90795365
3-[2,5-Dihydroxy-3-(methylamino)pyrrol-1-yl]hexane-2,5-dione
CID 90873962
1-Butan-2-yl-3-(methylamino)pyrrole-2,5-diol
CID 90917943
3-Amino-1-(2-hydroxyethyl)pyrrole-2,5-diol
CID 90928817

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide?
The IUPAC name of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide (CID 91445769) is N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide.
What is the SMILES notation for N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide?
The canonical SMILES for N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide is CC(CC(=O)NCCO)C(=O)Nc1cc(O)n(C)c1O.
What is the InChIKey of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide?
The InChIKey is FMXZTEDYFAWWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-7(5-9(17)13-3-4-16)11(19)14-8-6-10(18)15(2)12(8)20/h6-7,16,18,20H,3-5H2,1-2H3,(H,13,17)(H,14,19).
What are the key properties of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide?
N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide has a molecular weight of 285.30 g/mol, XLogP of -0.49, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-N'-(2-hydroxyethyl)-2-methylbutanediamide is sourced from PubChem (CID 91445769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).