3-methyl-2-(2-methylpropanoylamino)pentanoic acid

C10H19NO3 — CID 16777214

IUPAC3-methyl-2-(2-methylpropanoylamino)pentanoic acid
SMILESCCC(C)C(NC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-5-7(4)8(10(13)14)11-9(12)6(2)3/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyATRGKXZTLQYPBV-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds5

About 3-methyl-2-(2-methylpropanoylamino)pentanoic acid

3-methyl-2-(2-methylpropanoylamino)pentanoic acid (PubChem CID 16777214) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(2-methylpropanoylamino)pentanoic acid
PubChem CID16777214
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-methyl-2-(2-methylpropanoylamino)pentanoic acid
SMILESCCC(C)C(NC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-5-7(4)8(10(13)14)11-9(12)6(2)3/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyATRGKXZTLQYPBV-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylpropanoylamino)pentanoic acid?
The IUPAC name of 3-methyl-2-(2-methylpropanoylamino)pentanoic acid (CID 16777214) is 3-methyl-2-(2-methylpropanoylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(2-methylpropanoylamino)pentanoic acid?
The canonical SMILES for 3-methyl-2-(2-methylpropanoylamino)pentanoic acid is CCC(C)C(NC(=O)C(C)C)C(=O)O.
What is the InChIKey of 3-methyl-2-(2-methylpropanoylamino)pentanoic acid?
The InChIKey is ATRGKXZTLQYPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-7(4)8(10(13)14)11-9(12)6(2)3/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 3-methyl-2-(2-methylpropanoylamino)pentanoic acid?
3-methyl-2-(2-methylpropanoylamino)pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpropanoylamino)pentanoic acid is sourced from PubChem (CID 16777214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).