3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid

C11H21N3O4 — CID 106097853

IUPAC3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid
SMILESCC(NC(=O)NC(C)(C)CC(N)=O)C(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-6(9(16)17)7(2)13-10(18)14-11(3,4)5-8(12)15/h6-7H,5H2,1-4H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyCORVALSOKFRJSN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.05
Rot. Bonds6

About 3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid

3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid (PubChem CID 106097853) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid
PubChem CID106097853
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid
SMILESCC(NC(=O)NC(C)(C)CC(N)=O)C(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-6(9(16)17)7(2)13-10(18)14-11(3,4)5-8(12)15/h6-7H,5H2,1-4H3,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyCORVALSOKFRJSN-UHFFFAOYSA-N
XLogP0.05
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid
CID 106097783
2-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 114143079
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]hexanoic acid
CID 114143104
2-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 106097960
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
3-[[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]methyl]pentanoic acid
CID 106097804
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 114143086
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 106097791
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 106097819
3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106096105
3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64700892
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64701267

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid (CID 106097853) is 3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid is CC(NC(=O)NC(C)(C)CC(N)=O)C(C)C(=O)O.
What is the InChIKey of 3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid?
The InChIKey is CORVALSOKFRJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-6(9(16)17)7(2)13-10(18)14-11(3,4)5-8(12)15/h6-7H,5H2,1-4H3,(H2,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid?
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 106097853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).