2-[(2-ethoxyacetyl)amino]pentanedioic acid

C9H15NO6 — CID 60831138

IUPAC2-[(2-ethoxyacetyl)amino]pentanedioic acid
SMILESCCOCC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C9H15NO6/c1-2-16-5-7(11)10-6(9(14)15)3-4-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyAFRWZNHEYHBEAM-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.54
Rot. Bonds8

About 2-[(2-ethoxyacetyl)amino]pentanedioic acid

2-[(2-ethoxyacetyl)amino]pentanedioic acid (PubChem CID 60831138) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[(2-ethoxyacetyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(2-ethoxyacetyl)amino]pentanedioic acid
PubChem CID60831138
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name2-[(2-ethoxyacetyl)amino]pentanedioic acid
SMILESCCOCC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C9H15NO6/c1-2-16-5-7(11)10-6(9(14)15)3-4-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyAFRWZNHEYHBEAM-UHFFFAOYSA-N
XLogP-0.54
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propanoylamino)pentanedioic acid
CID 10436353
2-[[2-(2-aminoethoxy)acetyl]amino]pentanedioic acid
CID 79473877
(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid
CID 28778474
(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
CID 107937845
2-(3-methoxypropanoylamino)pentanedioic acid
CID 62590397
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2S)-2-(3-hydroxypentanoylamino)pentanedioic acid
CID 90258666
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyacetyl)amino]pentanedioic acid?
The IUPAC name of 2-[(2-ethoxyacetyl)amino]pentanedioic acid (CID 60831138) is 2-[(2-ethoxyacetyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(2-ethoxyacetyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(2-ethoxyacetyl)amino]pentanedioic acid is CCOCC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(2-ethoxyacetyl)amino]pentanedioic acid?
The InChIKey is AFRWZNHEYHBEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c1-2-16-5-7(11)10-6(9(14)15)3-4-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-[(2-ethoxyacetyl)amino]pentanedioic acid?
2-[(2-ethoxyacetyl)amino]pentanedioic acid has a molecular weight of 233.22 g/mol, XLogP of -0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyacetyl)amino]pentanedioic acid is sourced from PubChem (CID 60831138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).