6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid

C12H24N2O3 — CID 79812135

IUPAC6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid
SMILESCCC(C)(N)C(=O)NCCC(C)CCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-12(3,13)11(17)14-8-7-9(2)5-6-10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZCPPHQBJKCFKEZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds8

About 6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid

6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid (PubChem CID 79812135) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid
PubChem CID79812135
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid
SMILESCCC(C)(N)C(=O)NCCC(C)CCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-12(3,13)11(17)14-8-7-9(2)5-6-10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZCPPHQBJKCFKEZ-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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

6-[(2-amino-2-methylbutanoyl)amino]-4-ethylhexanoic acid
CID 79810581
4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid
CID 79811017
6-[(2-amino-2-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 79812253
6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid
CID 65459092
4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
CID 65266918
6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid
CID 104903554
5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
CID 82688450
4-methyl-6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]hexanoic acid
CID 102907233
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
2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79811579

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid (CID 79812135) is 6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid is CCC(C)(N)C(=O)NCCC(C)CCC(=O)O.
What is the InChIKey of 6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid?
The InChIKey is ZCPPHQBJKCFKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-12(3,13)11(17)14-8-7-9(2)5-6-10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid?
6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 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-methylbutanoyl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 79812135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).