5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide

C11H23N3O2 — CID 106096608

IUPAC5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C11H23N3O2/c1-8(7-12)4-5-10(16)14-11(2,3)6-9(13)15/h8H,4-7,12H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyNPZRHEQPZWHJTL-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.13
Rot. Bonds7

About 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide

5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide (PubChem CID 106096608) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide
PubChem CID106096608
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C11H23N3O2/c1-8(7-12)4-5-10(16)14-11(2,3)6-9(13)15/h8H,4-7,12H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyNPZRHEQPZWHJTL-UHFFFAOYSA-N
XLogP0.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[4-(propan-2-ylamino)butanoylamino]butanamide
CID 106096583
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
CID 106096401
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 114143086
3-(4-aminopentanoylamino)-3-methylbutanoic acid
CID 64683706
methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011707
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]hexanoic acid
CID 114143104
3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
CID 104579494
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106096105
2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid
CID 87176174
5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide (CID 106096608) is 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide is CC(CN)CCC(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide?
The InChIKey is NPZRHEQPZWHJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(7-12)4-5-10(16)14-11(2,3)6-9(13)15/h8H,4-7,12H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide?
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 106096608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).