2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid

C13H25NO3 — CID 120517032

IUPAC2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C(C)C(C)CC)C(=O)O
InChIInChI=1S/C13H25NO3/c1-6-8-13(5,12(16)17)14-11(15)10(4)9(3)7-2/h9-10H,6-8H2,1-5H3,(H,14,15)(H,16,17)
InChIKeySPXSEFXZPWFHIS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.43
Rot. Bonds7

About 2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid

2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid (PubChem CID 120517032) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
PubChem CID120517032
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C(C)C(C)CC)C(=O)O
InChIInChI=1S/C13H25NO3/c1-6-8-13(5,12(16)17)14-11(15)10(4)9(3)7-2/h9-10H,6-8H2,1-5H3,(H,14,15)(H,16,17)
InChIKeySPXSEFXZPWFHIS-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid
CID 120531855
2-(2,3-dimethylpentanoylamino)-2-methylpropanoic acid
CID 120515956
2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid
CID 103309128
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
CID 61160084
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
2-(2-butylsulfanylpropanoylamino)-2-methylpentanoic acid
CID 119192027
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43618755
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
CID 103997662
2-methyl-2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 119191930
2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 43618948

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid (CID 120517032) is 2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid is CCCC(C)(NC(=O)C(C)C(C)CC)C(=O)O.
What is the InChIKey of 2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid?
The InChIKey is SPXSEFXZPWFHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-8-13(5,12(16)17)14-11(15)10(4)9(3)7-2/h9-10H,6-8H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid?
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 120517032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).