2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid

C11H20N2O3 — CID 43135831

IUPAC2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-12(8-10(14)15)11(16)13(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyRUBXPQVEUQDYMI-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.39
Rot. Bonds3

About 2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid

2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid (PubChem CID 43135831) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid
PubChem CID43135831
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-12(8-10(14)15)11(16)13(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyRUBXPQVEUQDYMI-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid (CID 43135831) is 2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)N(C)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid?
The InChIKey is RUBXPQVEUQDYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12(8-10(14)15)11(16)13(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid?
2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)carbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 43135831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).