2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid

C20H37NO4 — CID 165399193

IUPAC2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid
SMILESCC(C)C(=O)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C20H37NO4/c1-13(2)14(22)17(3,4)12-20(9,10)21-15(23)18(5,6)11-19(7,8)16(24)25/h13H,11-12H2,1-10H3,(H,21,23)(H,24,25)
InChIKeyJAIOSLUSHKESSF-UHFFFAOYSA-N
MW355.52 g/mol
LogP4.05
Rot. Bonds9

About 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid

2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid (PubChem CID 165399193) has the molecular formula C20H37NO4 and a molecular weight of 355.52 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid
PubChem CID165399193
Molecular FormulaC20H37NO4
Molecular Weight355.52 g/mol
Exact Mass355.27
IUPAC Name2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid
SMILESCC(C)C(=O)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C20H37NO4/c1-13(2)14(22)17(3,4)12-20(9,10)21-15(23)18(5,6)11-19(7,8)16(24)25/h13H,11-12H2,1-10H3,(H,21,23)(H,24,25)
InChIKeyJAIOSLUSHKESSF-UHFFFAOYSA-N
XLogP4.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid with MolForge

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Related Compounds

ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 144952637
N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide
CID 177062288
2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide
CID 123857190
4-acetamido-N,2,2,4-tetramethylpentanamide
CID 130219137
2,2,4,4,5-pentamethyl-N-[(5E,7Z)-2,4,4-trimethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-2-yl]hexanamide
CID 143288493
7-tert-butylsulfanyl-2,4,4,6,6,7-hexamethyloctan-3-one
CID 155215269
(2R)-2-[(4-carboxy-2,2,4-trimethylpentanoyl)amino]-6,6-dimethyl-5-oxoheptanoic acid
CID 178096816
4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide
CID 170094257
6-hydroxy-2,4,4-trimethylhexan-3-one
CID 11615211
2,2,4,4-tetramethyl-5-[[4-[2-methyl-4-(3-methylbutanoylamino)butan-2-yl]oxy-2-sulfanylbutan-2-yl]amino]-5-oxopentanoic acid
CID 134502945
ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
CID 142311120
(2,2,3,3,6,6,8,8,10-nonamethyl-9-oxoundecan-4-yl) hypoiodite
CID 166821505

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid?
The IUPAC name of 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid (CID 165399193) is 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid?
The canonical SMILES for 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid is CC(C)C(=O)C(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid?
The InChIKey is JAIOSLUSHKESSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4/c1-13(2)14(22)17(3,4)12-20(9,10)21-15(23)18(5,6)11-19(7,8)16(24)25/h13H,11-12H2,1-10H3,(H,21,23)(H,24,25).
What are the key properties of 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid?
2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid has a molecular weight of 355.52 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 165399193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).