2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide

C11H23N3O2 — CID 106345053

IUPAC2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-6-11(4,13)10(16)14-8(7(2)3)9(12)15/h7-8H,5-6,13H2,1-4H3,(H2,12,15)(H,14,16)
InChIKeyYVXLDNAVFVRUDA-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.13
Rot. Bonds6

About 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide

2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide (PubChem CID 106345053) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide
PubChem CID106345053
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-6-11(4,13)10(16)14-8(7(2)3)9(12)15/h7-8H,5-6,13H2,1-4H3,(H2,12,15)(H,14,16)
InChIKeyYVXLDNAVFVRUDA-UHFFFAOYSA-N
XLogP0.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate
CID 54928348
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
2-amino-N-(5,5-dimethylhexan-2-yl)-2-methylpentanamide
CID 119796586
2-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylpentanamide
CID 65049075
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 106346897
2-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106344655
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide
CID 106344659
2-amino-2-methyl-N-(6-methylheptan-2-yl)pentanamide;hydrochloride
CID 119673366
2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide
CID 62093373
(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid
CID 113342300
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide (CID 106345053) is 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide is CCCC(C)(N)C(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide?
The InChIKey is YVXLDNAVFVRUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-6-11(4,13)10(16)14-8(7(2)3)9(12)15/h7-8H,5-6,13H2,1-4H3,(H2,12,15)(H,14,16).
What are the key properties of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide?
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide is sourced from PubChem (CID 106345053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).