2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid

C11H22N2O3 — CID 79470163

IUPAC2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid
SMILESCCC(C)CN(CC)C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-9(3)7-13(6-2)11(16)12(4)8-10(14)15/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyCPTOTSAPEKYXOQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.49
Rot. Bonds6

About 2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid

2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid (PubChem CID 79470163) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid
PubChem CID79470163
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid
SMILESCCC(C)CN(CC)C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-9(3)7-13(6-2)11(16)12(4)8-10(14)15/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyCPTOTSAPEKYXOQ-UHFFFAOYSA-N
XLogP1.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid (CID 79470163) is 2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid is CCC(C)CN(CC)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid?
The InChIKey is CPTOTSAPEKYXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-9(3)7-13(6-2)11(16)12(4)8-10(14)15/h9H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid?
2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 79470163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).