2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid

C9H15NO6 — CID 58403278

IUPAC2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
SMILESCOC(=O)CN(CC(=O)OC)C(C)C(=O)O
InChIInChI=1S/C9H15NO6/c1-6(9(13)14)10(4-7(11)15-2)5-8(12)16-3/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyPTQZISAKUYNBLX-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.89
Rot. Bonds6

About 2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid

2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid (PubChem CID 58403278) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
PubChem CID58403278
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
SMILESCOC(=O)CN(CC(=O)OC)C(C)C(=O)O
InChIInChI=1S/C9H15NO6/c1-6(9(13)14)10(4-7(11)15-2)5-8(12)16-3/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyPTQZISAKUYNBLX-UHFFFAOYSA-N
XLogP-0.89
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 10495701
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953645
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
CID 81089731
methyl 3,4-dimethylpentanoate
CID 554058
(2S)-2-(diethylamino)propanoic acid
CID 18664197
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011369
(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid?
The IUPAC name of 2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid (CID 58403278) is 2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid.
What is the SMILES notation for 2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid?
The canonical SMILES for 2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid is COC(=O)CN(CC(=O)OC)C(C)C(=O)O.
What is the InChIKey of 2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid?
The InChIKey is PTQZISAKUYNBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c1-6(9(13)14)10(4-7(11)15-2)5-8(12)16-3/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid?
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid has a molecular weight of 233.22 g/mol, XLogP of -0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid is sourced from PubChem (CID 58403278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).