2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid

C11H18N2O7 — CID 63644812

IUPAC2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid
SMILESCCOC(=O)CN(CC)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H18N2O7/c1-3-12(7-10(18)20-4-2)11(19)13(5-8(14)15)6-9(16)17/h3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQVFQUJOMXGIXHW-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.54
Rot. Bonds8

About 2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid

2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid (PubChem CID 63644812) has the molecular formula C11H18N2O7 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid
PubChem CID63644812
Molecular FormulaC11H18N2O7
Molecular Weight290.27 g/mol
Exact Mass290.11
IUPAC Name2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid
SMILESCCOC(=O)CN(CC)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H18N2O7/c1-3-12(7-10(18)20-4-2)11(19)13(5-8(14)15)6-9(16)17/h3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQVFQUJOMXGIXHW-UHFFFAOYSA-N
XLogP-0.54
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340
2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 63692727
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
ethyl 2-[ethyl(2-methylpropanoyl)amino]acetate
CID 61021514
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002388
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate
CID 61342746
ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate
CID 107905016
ethyl 2-[ethyl(hexanoyl)amino]acetate
CID 61022826
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid (CID 63644812) is 2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid is CCOC(=O)CN(CC)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid?
The InChIKey is QVFQUJOMXGIXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O7/c1-3-12(7-10(18)20-4-2)11(19)13(5-8(14)15)6-9(16)17/h3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid has a molecular weight of 290.27 g/mol, XLogP of -0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 63644812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).