2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid

C13H26N2O3 — CID 61437536

IUPAC2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
SMILESCCC(CC)CN(CC)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-11(6-2)9-14(7-3)13(18)15(8-4)10-12(16)17/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyADDVSDRRZKOMEV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.27
Rot. Bonds8

About 2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid

2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid (PubChem CID 61437536) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
PubChem CID61437536
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
SMILESCCC(CC)CN(CC)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-11(6-2)9-14(7-3)13(18)15(8-4)10-12(16)17/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyADDVSDRRZKOMEV-UHFFFAOYSA-N
XLogP2.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid (CID 61437536) is 2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid is CCC(CC)CN(CC)C(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid?
The InChIKey is ADDVSDRRZKOMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-11(6-2)9-14(7-3)13(18)15(8-4)10-12(16)17/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid?
2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61437536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).