3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid

C10H19NO2 — CID 103264847

IUPAC3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid
SMILESCC(C)C(NC1(C)CCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)8(9(12)13)11-10(3)5-4-6-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyXEHMJDHKLBKAAW-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds4

About 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid

3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid (PubChem CID 103264847) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid
PubChem CID103264847
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid
SMILESCC(C)C(NC1(C)CCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)8(9(12)13)11-10(3)5-4-6-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyXEHMJDHKLBKAAW-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid (CID 103264847) is 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid is CC(C)C(NC1(C)CCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid?
The InChIKey is XEHMJDHKLBKAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8(9(12)13)11-10(3)5-4-6-10/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid?
3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid is sourced from PubChem (CID 103264847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).