2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid

C11H19NO6 — CID 61327891

IUPAC2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
SMILESCCOC(=O)CN(C(=O)COCC(=O)O)C(C)C
InChIInChI=1S/C11H19NO6/c1-4-18-11(16)5-12(8(2)3)9(13)6-17-7-10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyDZUMHRILZMJUAZ-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.11
Rot. Bonds8

About 2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid

2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid (PubChem CID 61327891) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
PubChem CID61327891
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
SMILESCCOC(=O)CN(C(=O)COCC(=O)O)C(C)C
InChIInChI=1S/C11H19NO6/c1-4-18-11(16)5-12(8(2)3)9(13)6-17-7-10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyDZUMHRILZMJUAZ-UHFFFAOYSA-N
XLogP-0.11
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733
2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
CID 60831185
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid
CID 61328078
3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]butanoic acid
CID 55005606
ethane;ethyl 2-[(2-cyanoacetyl)-propan-2-ylamino]acetate
CID 170570680
2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 79484032
ethyl 2-[(3-amino-2-methylpropanoyl)-propan-2-ylamino]acetate
CID 62670368
ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate
CID 113416241
ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022066

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid (CID 61327891) is 2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid is CCOC(=O)CN(C(=O)COCC(=O)O)C(C)C.
What is the InChIKey of 2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid?
The InChIKey is DZUMHRILZMJUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-4-18-11(16)5-12(8(2)3)9(13)6-17-7-10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid?
2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid has a molecular weight of 261.27 g/mol, XLogP of -0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).