2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid

C11H21NO2 — CID 63821690

IUPAC2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
SMILESCC(CNCC1(C)CCCC1)C(=O)O
InChIInChI=1S/C11H21NO2/c1-9(10(13)14)7-12-8-11(2)5-3-4-6-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyGEGDAPCJMZGLAO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid

2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid (PubChem CID 63821690) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
PubChem CID63821690
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
SMILESCC(CNCC1(C)CCCC1)C(=O)O
InChIInChI=1S/C11H21NO2/c1-9(10(13)14)7-12-8-11(2)5-3-4-6-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyGEGDAPCJMZGLAO-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid (CID 63821690) is 2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid is CC(CNCC1(C)CCCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid?
The InChIKey is GEGDAPCJMZGLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(10(13)14)7-12-8-11(2)5-3-4-6-11/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid?
2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid is sourced from PubChem (CID 63821690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).