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

C12H24N2O3 — CID 112555766

IUPAC2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)C(N)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-12(7-2,10(16)17)14-9(15)8(13)11(3,4)5/h8H,6-7,13H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyVXZMIVWKLIWJQX-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds5

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

2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid (PubChem CID 112555766) 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]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
PubChem CID112555766
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)C(N)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-12(7-2,10(16)17)14-9(15)8(13)11(3,4)5/h8H,6-7,13H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyVXZMIVWKLIWJQX-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

Ala-Val
CID 96799
Ala-Ile
CID 7408079
Val-Ala
CID 6992638
Glycylisoleucine
CID 259613
IV
CID 435949
L-Valyl-L-valine
CID 107475
Ile-Val
CID 449407
glycyl-L-isoleucine
CID 88079
Isoleucylisoleucine
CID 13879965
Ile-Ile
CID 7010568
2-[(2-Amino-3-methylpentanoyl)amino]propanoic acid
CID 5246010
Val-Ile
CID 7010532

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid (CID 112555766) is 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)C(N)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid?
The InChIKey is VXZMIVWKLIWJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-12(7-2,10(16)17)14-9(15)8(13)11(3,4)5/h8H,6-7,13H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid?
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 5 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]-2-ethylbutanoic acid is sourced from PubChem (CID 112555766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).