2-(7-methyloctylamino)-2-oxoacetic acid

C11H21NO3 — CID 104766982

IUPAC2-(7-methyloctylamino)-2-oxoacetic acid
SMILESCC(C)CCCCCCNC(=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-9(2)7-5-3-4-6-8-12-10(13)11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyKBQDCHCDHMGJHD-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds7

About 2-(7-methyloctylamino)-2-oxoacetic acid

2-(7-methyloctylamino)-2-oxoacetic acid (PubChem CID 104766982) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(7-methyloctylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(7-methyloctylamino)-2-oxoacetic acid
PubChem CID104766982
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(7-methyloctylamino)-2-oxoacetic acid
SMILESCC(C)CCCCCCNC(=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-9(2)7-5-3-4-6-8-12-10(13)11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyKBQDCHCDHMGJHD-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(5-methylhexylamino)-2-oxoacetic acid
CID 115326868
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
1-methyl-3-(7-methyloctyl)urea
CID 71899901
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
1-(6-methylheptyl)-3-[6-(6-methylheptylcarbamoylamino)hexa-2,4-diynyl]urea
CID 154630259
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid
CID 158939992
3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
CID 62964548
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyloctylamino)-2-oxoacetic acid?
The IUPAC name of 2-(7-methyloctylamino)-2-oxoacetic acid (CID 104766982) is 2-(7-methyloctylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(7-methyloctylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(7-methyloctylamino)-2-oxoacetic acid is CC(C)CCCCCCNC(=O)C(=O)O.
What is the InChIKey of 2-(7-methyloctylamino)-2-oxoacetic acid?
The InChIKey is KBQDCHCDHMGJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)7-5-3-4-6-8-12-10(13)11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(7-methyloctylamino)-2-oxoacetic acid?
2-(7-methyloctylamino)-2-oxoacetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyloctylamino)-2-oxoacetic acid is sourced from PubChem (CID 104766982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).