2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid

C11H20N2O5 — CID 55247073

IUPAC2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
SMILESCCCCN(CC)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-5-6-12(4-2)11(18)13(7-9(14)15)8-10(16)17/h3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHLJBIKMKBITGJG-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.70
Rot. Bonds8

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

2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid (PubChem CID 55247073) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
PubChem CID55247073
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
SMILESCCCCN(CC)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-5-6-12(4-2)11(18)13(7-9(14)15)8-10(16)17/h3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHLJBIKMKBITGJG-UHFFFAOYSA-N
XLogP0.70
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[[butyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 54978335
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
3-[[butyl(2-hydroxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 61447698
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[butyl(octadecanoyl)amino]acetic acid
CID 175340712
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
N-butyl-N-ethylpentanamide
CID 4629847
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 63692727

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid (CID 55247073) is 2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid is CCCCN(CC)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is HLJBIKMKBITGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-5-6-12(4-2)11(18)13(7-9(14)15)8-10(16)17/h3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid?
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 55247073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).