2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid

C13H23NO3 — CID 107175190

IUPAC2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)C1CCCC1C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-4-8-13(3,12(16)17)14-11(15)10-7-5-6-9(10)2/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyHDXXOJGSWWAHSO-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid

2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid (PubChem CID 107175190) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
PubChem CID107175190
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)C1CCCC1C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-4-8-13(3,12(16)17)14-11(15)10-7-5-6-9(10)2/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyHDXXOJGSWWAHSO-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid (CID 107175190) is 2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid is CCCC(C)(NC(=O)C1CCCC1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
The InChIKey is HDXXOJGSWWAHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-8-13(3,12(16)17)14-11(15)10-7-5-6-9(10)2/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 107175190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).