4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid

C15H30N2O3 — CID 79811017

IUPAC4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCCC(C)(N)C(=O)NCCC(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-15(5,16)13(20)17-10-9-11(14(2,3)4)7-8-12(18)19/h11H,6-10,16H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyHGXPIBOGKIZBJC-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.15
Rot. Bonds8

About 4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid

4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid (PubChem CID 79811017) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid
PubChem CID79811017
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCCC(C)(N)C(=O)NCCC(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-15(5,16)13(20)17-10-9-11(14(2,3)4)7-8-12(18)19/h11H,6-10,16H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyHGXPIBOGKIZBJC-UHFFFAOYSA-N
XLogP2.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid
CID 79812135
6-[(2-amino-2-methylbutanoyl)amino]-4-ethylhexanoic acid
CID 79810581
4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid
CID 107569825
6-[(2-amino-2-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 79812253
4-[2-[[2-(aminomethyl)-3-methylbutanoyl]amino]ethyl]-5,5-dimethylhexanoic acid
CID 65227852
5,5-dimethyl-4-[2-[(2-propoxyacetyl)amino]ethyl]hexanoic acid
CID 107938043
5,5-dimethyl-4-[2-(3-methylbut-2-enylcarbamoylamino)ethyl]hexanoic acid
CID 106191403
4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
CID 65266918
4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid
CID 79811550
6-[(3-amino-2,2-dimethylpropanoyl)amino]-4-ethylhexanoic acid
CID 113307665
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-methylbutanamide
CID 79797030
2-amino-2-methyl-N-(2-methylsulfanylethyl)butanamide
CID 79811350

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The IUPAC name of 4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid (CID 79811017) is 4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The canonical SMILES for 4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid is CCC(C)(N)C(=O)NCCC(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The InChIKey is HGXPIBOGKIZBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-15(5,16)13(20)17-10-9-11(14(2,3)4)7-8-12(18)19/h11H,6-10,16H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of 4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid?
4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 79811017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).