6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid

C12H18N2O5 — CID 139417671

IUPAC6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCCN1C(=O)C=CC1O
InChIInChI=1S/C12H18N2O5/c15-9(3-1-2-4-12(18)19)13-7-8-14-10(16)5-6-11(14)17/h5-6,10,16H,1-4,7-8H2,(H,13,15)(H,18,19)
InChIKeyMQJHGBHTFISFKM-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.54
Rot. Bonds8

About 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid

6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid (PubChem CID 139417671) has the molecular formula C12H18N2O5 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid
PubChem CID139417671
Molecular FormulaC12H18N2O5
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCCN1C(=O)C=CC1O
InChIInChI=1S/C12H18N2O5/c15-9(3-1-2-4-12(18)19)13-7-8-14-10(16)5-6-11(14)17/h5-6,10,16H,1-4,7-8H2,(H,13,15)(H,18,19)
InChIKeyMQJHGBHTFISFKM-UHFFFAOYSA-N
XLogP-0.54
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid with MolForge

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Related Compounds

4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 130219582
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide
CID 156532724
1-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 14479801
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
2-hydroxy-1-propyl-2H-pyrrol-5-one
CID 135175817
4-[5-(5-chloro-2-oxo-1-pyridinyl)pentanoylamino]butanoic acid
CID 92941117
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one
CID 163526522

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid (CID 139417671) is 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)NCCN1C(=O)C=CC1O.
What is the InChIKey of 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid?
The InChIKey is MQJHGBHTFISFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c15-9(3-1-2-4-12(18)19)13-7-8-14-10(16)5-6-11(14)17/h5-6,10,16H,1-4,7-8H2,(H,13,15)(H,18,19).
What are the key properties of 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid?
6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid is sourced from PubChem (CID 139417671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).