6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid

C10H20N2O3 — CID 65287286

IUPAC6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNCC(N)=O)CCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-10(2,4-3-9(14)15)5-6-12-7-8(11)13/h12H,3-7H2,1-2H3,(H2,11,13)(H,14,15)
InChIKeyPZCAYCVOPWGQOX-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds8

About 6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid

6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65287286) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65287286
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNCC(N)=O)CCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-10(2,4-3-9(14)15)5-6-12-7-8(11)13/h12H,3-7H2,1-2H3,(H2,11,13)(H,14,15)
InChIKeyPZCAYCVOPWGQOX-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391
6-(decylamino)-4,4-dimethylhexanoic acid
CID 65289065
4,4-dimethyl-6-(nonylamino)hexanoic acid
CID 65287173
6-(but-3-ynylamino)-4,4-dimethylhexanoic acid
CID 65287661
6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289120
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289318
6-[[3-(ethylamino)-3-oxopropyl]amino]-4,4-dimethylhexanoic acid
CID 65287716
6-(3-chloroprop-2-enylamino)-4,4-dimethylhexanoic acid
CID 77064599
6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid
CID 114200371
4,4-dimethyl-6-(pent-4-enylamino)hexanoic acid
CID 65289166

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid (CID 65287286) is 6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNCC(N)=O)CCC(=O)O.
What is the InChIKey of 6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is PZCAYCVOPWGQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,4-3-9(14)15)5-6-12-7-8(11)13/h12H,3-7H2,1-2H3,(H2,11,13)(H,14,15).
What are the key properties of 6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid?
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65287286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).