2-amino-6,6-dimethyl-5-oxooctanoic acid

C10H19NO3 — CID 126684386

IUPAC2-amino-6,6-dimethyl-5-oxooctanoic acid
SMILESCCC(C)(C)C(=O)CCC(N)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-10(2,3)8(12)6-5-7(11)9(13)14/h7H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyDMRJTZUSOWWMHI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.18
Rot. Bonds6

About 2-amino-6,6-dimethyl-5-oxooctanoic acid

2-amino-6,6-dimethyl-5-oxooctanoic acid (PubChem CID 126684386) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-6,6-dimethyl-5-oxooctanoic acid.

Molecular Properties

Compound Name2-amino-6,6-dimethyl-5-oxooctanoic acid
PubChem CID126684386
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-amino-6,6-dimethyl-5-oxooctanoic acid
SMILESCCC(C)(C)C(=O)CCC(N)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-10(2,3)8(12)6-5-7(11)9(13)14/h7H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyDMRJTZUSOWWMHI-UHFFFAOYSA-N
XLogP1.18
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diamino-6-methyl-5,7-dioxoheptanoic acid
CID 173288800
2,6-diaminohexanoic acid;2,2-dimethylbutanoic acid
CID 87316835
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2R)-2-amino(311C)pentanoic acid
CID 55291456
2-aminopentanedioic acid
CID 611
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-aminopentanedioic acid;butanedioic acid;butanoic acid
CID 158042899
(2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide
CID 159888064
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,6-dimethyl-5-oxooctanoic acid?
The IUPAC name of 2-amino-6,6-dimethyl-5-oxooctanoic acid (CID 126684386) is 2-amino-6,6-dimethyl-5-oxooctanoic acid.
What is the SMILES notation for 2-amino-6,6-dimethyl-5-oxooctanoic acid?
The canonical SMILES for 2-amino-6,6-dimethyl-5-oxooctanoic acid is CCC(C)(C)C(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-6,6-dimethyl-5-oxooctanoic acid?
The InChIKey is DMRJTZUSOWWMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-10(2,3)8(12)6-5-7(11)9(13)14/h7H,4-6,11H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-6,6-dimethyl-5-oxooctanoic acid?
2-amino-6,6-dimethyl-5-oxooctanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,6-dimethyl-5-oxooctanoic acid is sourced from PubChem (CID 126684386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).