4-amino-6,6,7-trimethyl-5-oxooctanoic acid

C11H21NO3 — CID 129034412

IUPAC4-amino-6,6,7-trimethyl-5-oxooctanoic acid
SMILESCC(C)C(C)(C)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-7(2)11(3,4)10(15)8(12)5-6-9(13)14/h7-8H,5-6,12H2,1-4H3,(H,13,14)
InChIKeySUXQAWWSZFTOLS-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.43
Rot. Bonds6

About 4-amino-6,6,7-trimethyl-5-oxooctanoic acid

4-amino-6,6,7-trimethyl-5-oxooctanoic acid (PubChem CID 129034412) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-amino-6,6,7-trimethyl-5-oxooctanoic acid.

Molecular Properties

Compound Name4-amino-6,6,7-trimethyl-5-oxooctanoic acid
PubChem CID129034412
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-amino-6,6,7-trimethyl-5-oxooctanoic acid
SMILESCC(C)C(C)(C)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-7(2)11(3,4)10(15)8(12)5-6-9(13)14/h7-8H,5-6,12H2,1-4H3,(H,13,14)
InChIKeySUXQAWWSZFTOLS-UHFFFAOYSA-N
XLogP1.43
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-6,6-dimethyl-5-oxoheptanoic acid;sulfane
CID 158948664
2,4-diamino-2-methyl-3-oxoheptanedioic acid
CID 20977092
(4R)-4-amino-6-methyl-5-oxoheptanoic acid
CID 139478351
(2S)-2-aminopentanedioic acid;ditert-butyl carbonate;hydrochloride
CID 172690436
4-aminopentanoic acid;ethane
CID 143436801
(4S)-4-amino-6-[(2-methylpropan-2-yl)oxy]-5,6-dioxohexanoic acid
CID 57090441
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
potassium;2-aminopentanedioic acid;hydride
CID 173070457
sodium;(2R)-2-aminopentanedioic acid;hydride
CID 172998244
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 65106502

Frequently Asked Questions

What is the IUPAC name of 4-amino-6,6,7-trimethyl-5-oxooctanoic acid?
The IUPAC name of 4-amino-6,6,7-trimethyl-5-oxooctanoic acid (CID 129034412) is 4-amino-6,6,7-trimethyl-5-oxooctanoic acid.
What is the SMILES notation for 4-amino-6,6,7-trimethyl-5-oxooctanoic acid?
The canonical SMILES for 4-amino-6,6,7-trimethyl-5-oxooctanoic acid is CC(C)C(C)(C)C(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-6,6,7-trimethyl-5-oxooctanoic acid?
The InChIKey is SUXQAWWSZFTOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)11(3,4)10(15)8(12)5-6-9(13)14/h7-8H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of 4-amino-6,6,7-trimethyl-5-oxooctanoic acid?
4-amino-6,6,7-trimethyl-5-oxooctanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,6,7-trimethyl-5-oxooctanoic acid is sourced from PubChem (CID 129034412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).