2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid

C12H25NO3 — CID 64708384

IUPAC2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid
SMILESCC(C)CCCOC(C)CC(C)(N)C(=O)O
InChIInChI=1S/C12H25NO3/c1-9(2)6-5-7-16-10(3)8-12(4,13)11(14)15/h9-10H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyHQOOGMDHXOULCB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.02
Rot. Bonds8

About 2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid

2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid (PubChem CID 64708384) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid
PubChem CID64708384
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid
SMILESCC(C)CCCOC(C)CC(C)(N)C(=O)O
InChIInChI=1S/C12H25NO3/c1-9(2)6-5-7-16-10(3)8-12(4,13)11(14)15/h9-10H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyHQOOGMDHXOULCB-UHFFFAOYSA-N
XLogP2.02
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid (CID 64708384) is 2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid is CC(C)CCCOC(C)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid?
The InChIKey is HQOOGMDHXOULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)6-5-7-16-10(3)8-12(4,13)11(14)15/h9-10H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of 2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid?
2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid has a molecular weight of 231.34 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid is sourced from PubChem (CID 64708384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).