2-(2-acetamidopropanoylamino)-3-methylpentanoic acid

C11H20N2O4 — CID 19431410

IUPAC2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C(C)NC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-5-6(2)9(11(16)17)13-10(15)7(3)12-8(4)14/h6-7,9H,5H2,1-4H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeySIZYZNKQHXRQQQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.13
Rot. Bonds6

About 2-(2-acetamidopropanoylamino)-3-methylpentanoic acid

2-(2-acetamidopropanoylamino)-3-methylpentanoic acid (PubChem CID 19431410) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-acetamidopropanoylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
PubChem CID19431410
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C(C)NC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-5-6(2)9(11(16)17)13-10(15)7(3)12-8(4)14/h6-7,9H,5H2,1-4H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeySIZYZNKQHXRQQQ-UHFFFAOYSA-N
XLogP0.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61137926
2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 43171197
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid
CID 18224181
2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide
CID 23276427
(2S)-2-(2-ethylbutanoylamino)-3-methylpentanoic acid
CID 61173595
2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid
CID 119212075
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
2-(2-aminobutanoylamino)-3-methylpentanoic acid
CID 3625226
(2S,3S)-2-acetamido-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-3-methylpentanamide
CID 101137791
(2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid
CID 151986208
2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 62669281

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidopropanoylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(2-acetamidopropanoylamino)-3-methylpentanoic acid (CID 19431410) is 2-(2-acetamidopropanoylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(2-acetamidopropanoylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(2-acetamidopropanoylamino)-3-methylpentanoic acid is CCC(C)C(NC(=O)C(C)NC(C)=O)C(=O)O.
What is the InChIKey of 2-(2-acetamidopropanoylamino)-3-methylpentanoic acid?
The InChIKey is SIZYZNKQHXRQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-5-6(2)9(11(16)17)13-10(15)7(3)12-8(4)14/h6-7,9H,5H2,1-4H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-(2-acetamidopropanoylamino)-3-methylpentanoic acid?
2-(2-acetamidopropanoylamino)-3-methylpentanoic acid has a molecular weight of 244.29 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-(2-acetamidopropanoylamino)-3-methylpentanoic acid is sourced from PubChem (CID 19431410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).