4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid

C20H30N2O5 — CID 134396496

IUPAC4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNC(=O)C2CCC(CN3C(=O)C=CC3O)CC2)CC1
InChIInChI=1S/C20H30N2O5/c23-17-9-10-18(24)22(17)12-14-3-5-15(6-4-14)19(25)21-11-13-1-7-16(8-2-13)20(26)27/h9-10,13-17,23H,1-8,11-12H2,(H,21,25)(H,26,27)
InChIKeyZLELTZQSZHLSKO-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.52
Rot. Bonds6

About 4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 134396496) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID134396496
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNC(=O)C2CCC(CN3C(=O)C=CC3O)CC2)CC1
InChIInChI=1S/C20H30N2O5/c23-17-9-10-18(24)22(17)12-14-3-5-15(6-4-14)19(25)21-11-13-1-7-16(8-2-13)20(26)27/h9-10,13-17,23H,1-8,11-12H2,(H,21,25)(H,26,27)
InChIKeyZLELTZQSZHLSKO-UHFFFAOYSA-N
XLogP1.52
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 134396496) is 4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNC(=O)C2CCC(CN3C(=O)C=CC3O)CC2)CC1.
What is the InChIKey of 4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZLELTZQSZHLSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c23-17-9-10-18(24)22(17)12-14-3-5-15(6-4-14)19(25)21-11-13-1-7-16(8-2-13)20(26)27/h9-10,13-17,23H,1-8,11-12H2,(H,21,25)(H,26,27).
What are the key properties of 4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 378.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 134396496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).