2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid

C14H28N2O3 — CID 79803621

IUPAC2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)CCC(C)(C)CCN)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-14(6-2,12(18)19)16-11(17)7-8-13(3,4)9-10-15/h5-10,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyCVSPKWTZAIHSPG-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.90
Rot. Bonds9

About 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid

2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid (PubChem CID 79803621) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid
PubChem CID79803621
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)CCC(C)(C)CCN)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-14(6-2,12(18)19)16-11(17)7-8-13(3,4)9-10-15/h5-10,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyCVSPKWTZAIHSPG-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide
CID 107865762
2-[(4-ethoxy-4-oxobutanoyl)amino]-2-ethylbutanoic acid
CID 79806465
2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid
CID 79803793
2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
CID 65291863
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803868
(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208
ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
CID 65290762
6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide
CID 113499092
2-[3-(4-aminophenyl)propanoylamino]-2-ethylbutanoic acid
CID 115341581
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107221314
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid (CID 79803621) is 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)CCC(C)(C)CCN)C(=O)O.
What is the InChIKey of 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid?
The InChIKey is CVSPKWTZAIHSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-14(6-2,12(18)19)16-11(17)7-8-13(3,4)9-10-15/h5-10,15H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid?
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.90, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79803621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).