2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid

C9H16N2O5 — CID 61327311

IUPAC2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
SMILESCCNC(=O)CN(C)C(=O)COCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-3-10-7(12)4-11(2)8(13)5-16-6-9(14)15/h3-6H2,1-2H3,(H,10,12)(H,14,15)
InChIKeyKQOJHIOQOUWOKC-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.32
Rot. Bonds7

About 2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid

2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid (PubChem CID 61327311) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
PubChem CID61327311
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
SMILESCCNC(=O)CN(C)C(=O)COCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-3-10-7(12)4-11(2)8(13)5-16-6-9(14)15/h3-6H2,1-2H3,(H,10,12)(H,14,15)
InChIKeyKQOJHIOQOUWOKC-UHFFFAOYSA-N
XLogP-1.32
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-3-oxopropanoic acid
CID 62230429
2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61329426
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733
N-ethyl-2-[methyl-(2-piperidin-4-yloxyacetyl)amino]acetamide
CID 63876044
3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
CID 60948700
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide
CID 107025957
2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
CID 61328408
2-[2-[[2-[acetyl(methyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457414
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(propylamino)acetamide
CID 55207779
2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid
CID 115729847
2-amino-N-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 60963649

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid (CID 61327311) is 2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid is CCNC(=O)CN(C)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is KQOJHIOQOUWOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-3-10-7(12)4-11(2)8(13)5-16-6-9(14)15/h3-6H2,1-2H3,(H,10,12)(H,14,15).
What are the key properties of 2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid?
2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 232.24 g/mol, XLogP of -1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).