2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid

C12H24N2O3 — CID 76894181

IUPAC2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C(N)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-6-7-8(11(16)17)14-10(15)9(13)12(2,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyTWEWUMPFJUJJCD-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds6

About 2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid

2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid (PubChem CID 76894181) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
PubChem CID76894181
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C(N)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-6-7-8(11(16)17)14-10(15)9(13)12(2,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyTWEWUMPFJUJJCD-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 103929498
(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278
(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid
CID 107147000
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 103930250
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-methoxybutanoic acid
CID 62478300
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]hexanoic acid
CID 54546738
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-[[2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 23424270
2-[[(2S)-2-aminoheptanoyl]amino]heptanoic acid
CID 121291203

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid?
The IUPAC name of 2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid (CID 76894181) is 2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid is CCCCC(NC(=O)C(N)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid?
The InChIKey is TWEWUMPFJUJJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-6-7-8(11(16)17)14-10(15)9(13)12(2,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid?
2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid is sourced from PubChem (CID 76894181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).