2,2,4-trimethyl-4-(propanoylamino)pentanoic acid

C11H21NO3 — CID 137446590

IUPAC2,2,4-trimethyl-4-(propanoylamino)pentanoic acid
SMILESCCC(=O)NC(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-6-8(13)12-11(4,5)7-10(2,3)9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyVCUPZCLHDNNINM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds5

About 2,2,4-trimethyl-4-(propanoylamino)pentanoic acid

2,2,4-trimethyl-4-(propanoylamino)pentanoic acid (PubChem CID 137446590) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(propanoylamino)pentanoic acid.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(propanoylamino)pentanoic acid
PubChem CID137446590
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2,2,4-trimethyl-4-(propanoylamino)pentanoic acid
SMILESCCC(=O)NC(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-6-8(13)12-11(4,5)7-10(2,3)9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyVCUPZCLHDNNINM-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-Trimethyl-4-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
CID 137446586
4-Acetamido-4-ethylhexanoic acid
CID 129819080
Methyl 4-acetamido-4-methylpentanoate
CID 154707019
4-Methyl-4-(3,3,3-trifluoropropanoylamino)pentanoic acid
CID 62043260
4-Methyl-4-(trifluoroacetamido)pentanoic acid
CID 62043301
4-Methyl-4-(4,4,4-trifluorobutanoylamino)pentanoic acid
CID 65711506
4-[(2,2-Difluoroacetyl)amino]-4-methylpentanoic acid
CID 103513244
4-Methyl-4-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid
CID 103804076
4-Methyl-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoic acid
CID 108093321
4-Methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid
CID 119357751
4-Methyl-4-[(4,4,4-trifluoro-3,3-dimethylbutanoyl)amino]pentanoic acid
CID 121905404
2,4-Dimethyl-4-(trifluoroacetamido)pentanoic acid
CID 165914222

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-(propanoylamino)pentanoic acid?
The IUPAC name of 2,2,4-trimethyl-4-(propanoylamino)pentanoic acid (CID 137446590) is 2,2,4-trimethyl-4-(propanoylamino)pentanoic acid.
What is the SMILES notation for 2,2,4-trimethyl-4-(propanoylamino)pentanoic acid?
The canonical SMILES for 2,2,4-trimethyl-4-(propanoylamino)pentanoic acid is CCC(=O)NC(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2,4-trimethyl-4-(propanoylamino)pentanoic acid?
The InChIKey is VCUPZCLHDNNINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-8(13)12-11(4,5)7-10(2,3)9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2,2,4-trimethyl-4-(propanoylamino)pentanoic acid?
2,2,4-trimethyl-4-(propanoylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(propanoylamino)pentanoic acid is sourced from PubChem (CID 137446590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).