2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid

C10H18N2O6 — CID 81057647

IUPAC2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
SMILESCCOCCN(C)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O6/c1-3-18-5-4-11(2)10(17)12(6-8(13)14)7-9(15)16/h3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQZOCHBRYHWRLPZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.45
Rot. Bonds8

About 2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 81057647) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
PubChem CID81057647
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
SMILESCCOCCN(C)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O6/c1-3-18-5-4-11(2)10(17)12(6-8(13)14)7-9(15)16/h3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQZOCHBRYHWRLPZ-UHFFFAOYSA-N
XLogP-0.45
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 81056729
1-(2-ethoxyethyl)-3,3-diethyl-1-methylurea
CID 115887200
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 63692727
2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
CID 82937387
2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 81058123
2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
CID 81061794
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
2-[2-ethoxyethyl(methyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429188
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 81057369

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid (CID 81057647) is 2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid is CCOCCN(C)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is QZOCHBRYHWRLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-3-18-5-4-11(2)10(17)12(6-8(13)14)7-9(15)16/h3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of -0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 81057647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).