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

C11H20N2O4 — CID 43618824

IUPAC2-(3-acetamidopropanoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CCNC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-6-11(3,10(16)17)13-9(15)5-7-12-8(2)14/h4-7H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyMKLXDJBJBJPKAX-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.27
Rot. Bonds7

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

2-(3-acetamidopropanoylamino)-2-methylpentanoic acid (PubChem CID 43618824) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(3-acetamidopropanoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(3-acetamidopropanoylamino)-2-methylpentanoic acid
PubChem CID43618824
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-(3-acetamidopropanoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CCNC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-6-11(3,10(16)17)13-9(15)5-7-12-8(2)14/h4-7H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyMKLXDJBJBJPKAX-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylpentanoic acid
CID 43618799
2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid
CID 61162004
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid
CID 119192368
2-(7-aminoheptanoylamino)-2-methylpentanoic acid
CID 61161031
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid
CID 79792553
3-acetamido-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103713019

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopropanoylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(3-acetamidopropanoylamino)-2-methylpentanoic acid (CID 43618824) is 2-(3-acetamidopropanoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(3-acetamidopropanoylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(3-acetamidopropanoylamino)-2-methylpentanoic acid is CCCC(C)(NC(=O)CCNC(C)=O)C(=O)O.
What is the InChIKey of 2-(3-acetamidopropanoylamino)-2-methylpentanoic acid?
The InChIKey is MKLXDJBJBJPKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-6-11(3,10(16)17)13-9(15)5-7-12-8(2)14/h4-7H2,1-3H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-(3-acetamidopropanoylamino)-2-methylpentanoic acid?
2-(3-acetamidopropanoylamino)-2-methylpentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopropanoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 43618824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).