6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide

C14H23N3O4 — CID 23526545

IUPAC6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide
SMILESCC(CCCCNC(=O)CCN1C(=O)C=CC1O)C(N)=O
InChIInChI=1S/C14H23N3O4/c1-10(14(15)21)4-2-3-8-16-11(18)7-9-17-12(19)5-6-13(17)20/h5-6,10,12,19H,2-4,7-9H2,1H3,(H2,15,21)(H,16,18)
InChIKeyYZMZJHAFRNBEEQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.50
Rot. Bonds9

About 6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide

6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide (PubChem CID 23526545) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide.

Molecular Properties

Compound Name6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide
PubChem CID23526545
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide
SMILESCC(CCCCNC(=O)CCN1C(=O)C=CC1O)C(N)=O
InChIInChI=1S/C14H23N3O4/c1-10(14(15)21)4-2-3-8-16-11(18)7-9-17-12(19)5-6-13(17)20/h5-6,10,12,19H,2-4,7-9H2,1H3,(H2,15,21)(H,16,18)
InChIKeyYZMZJHAFRNBEEQ-UHFFFAOYSA-N
XLogP-0.50
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 130219582
6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid
CID 139417671
3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-(methylamino)-6-oxoheptyl]propanamide
CID 58587501
3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide
CID 156532724
2-acetamido-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide;2-acetamido-3-sulfanylpropanamide
CID 162166379
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-propylhexanamide
CID 70965533
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxoheptyl]propanamide
CID 21299485
6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide
CID 68727226
3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-(methylamino)-6-oxo-6-thiophosphorosohexyl]propanamide;6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
CID 90738060
acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
CID 91395797
[4-[[(2S)-2-[[(2S)-4-amino-2-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-4-oxobutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 162430896
6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide
CID 20710719

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide?
The IUPAC name of 6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide (CID 23526545) is 6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide.
What is the SMILES notation for 6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide?
The canonical SMILES for 6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide is CC(CCCCNC(=O)CCN1C(=O)C=CC1O)C(N)=O.
What is the InChIKey of 6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide?
The InChIKey is YZMZJHAFRNBEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10(14(15)21)4-2-3-8-16-11(18)7-9-17-12(19)5-6-13(17)20/h5-6,10,12,19H,2-4,7-9H2,1H3,(H2,15,21)(H,16,18).
What are the key properties of 6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide?
6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide has a molecular weight of 297.36 g/mol, XLogP of -0.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide is sourced from PubChem (CID 23526545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).