(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide

C11H22N2O2 — CID 87725663

IUPAC(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
SMILESCCC(C)[C@H](NC(=O)CC(C)C)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-5-8(4)10(11(12)15)13-9(14)6-7(2)3/h7-8,10H,5-6H2,1-4H3,(H2,12,15)(H,13,14)/t8?,10-/m0/s1
InChIKeyWZKAKJQGXBSWPA-HTLJXXAVSA-N
MW214.31 g/mol
LogP1.05
Rot. Bonds6

About (2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide

(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide (PubChem CID 87725663) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
PubChem CID87725663
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
SMILESCCC(C)[C@H](NC(=O)CC(C)C)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-5-8(4)10(11(12)15)13-9(14)6-7(2)3/h7-8,10H,5-6H2,1-4H3,(H2,12,15)(H,13,14)/t8?,10-/m0/s1
InChIKeyWZKAKJQGXBSWPA-HTLJXXAVSA-N
XLogP1.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
3-methyl-N-(2-oxopentan-3-yl)butanamide
CID 178112786
(2S,3S)-2-(3,4-dimethylpentanoylamino)-3-methylpentanoic acid
CID 119193969
3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
CID 123144542
(2S,3S)-3-methyl-2-[(3-methyl-2-oxopentanoyl)amino]pentanamide
CID 167869588
2-(3,5-dimethylhexanoylamino)-3-methylpentanoic acid
CID 119211507
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide
CID 86910444
methyl (2S,3S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-methylpentanoate
CID 120590169
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
CID 78773250

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide?
The IUPAC name of (2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide (CID 87725663) is (2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide.
What is the SMILES notation for (2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide?
The canonical SMILES for (2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide is CCC(C)[C@H](NC(=O)CC(C)C)C(N)=O.
What is the InChIKey of (2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide?
The InChIKey is WZKAKJQGXBSWPA-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-8(4)10(11(12)15)13-9(14)6-7(2)3/h7-8,10H,5-6H2,1-4H3,(H2,12,15)(H,13,14)/t8?,10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide?
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide has a molecular weight of 214.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide is sourced from PubChem (CID 87725663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).