5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid

C12H21NO4 — CID 163453905

IUPAC5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid
SMILESCC(C)(C)CCC(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C12H21NO4/c1-12(2,3)7-6-10(15)13-8-9(14)4-5-11(16)17/h4-8H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyJZJRKEISICYFQH-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.36
Rot. Bonds7

About 5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid

5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid (PubChem CID 163453905) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid
PubChem CID163453905
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid
SMILESCC(C)(C)CCC(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C12H21NO4/c1-12(2,3)7-6-10(15)13-8-9(14)4-5-11(16)17/h4-8H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyJZJRKEISICYFQH-UHFFFAOYSA-N
XLogP1.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-carboxypropanoylamino)-4-oxopentanoic acid
CID 102302142
N-(5,5-dimethyl-2-oxohexyl)octanamide
CID 166884720
5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid
CID 160877136
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
CID 65291863
N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide
CID 115271206
N-benzyl-4,4-dimethylpentanamide
CID 59836653
N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide
CID 162006566
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid?
The IUPAC name of 5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid (CID 163453905) is 5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid is CC(C)(C)CCC(=O)NCC(=O)CCC(=O)O.
What is the InChIKey of 5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid?
The InChIKey is JZJRKEISICYFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)7-6-10(15)13-8-9(14)4-5-11(16)17/h4-8H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid?
5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid is sourced from PubChem (CID 163453905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).