(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid

C8H14N2O5 — CID 28778474

IUPAC(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid
SMILESCCOCC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-2-15-4-7(12)10-5(8(13)14)3-6(9)11/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t5-/m1/s1
InChIKeyHDSWWXCOZMNCBW-RXMQYKEDSA-N
MW218.21 g/mol
LogP-1.53
Rot. Bonds7

About (2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid (PubChem CID 28778474) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid
PubChem CID28778474
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid
SMILESCCOCC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-2-15-4-7(12)10-5(8(13)14)3-6(9)11/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t5-/m1/s1
InChIKeyHDSWWXCOZMNCBW-RXMQYKEDSA-N
XLogP-1.53
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethoxyacetyl)amino]pentanedioic acid
CID 60831138
(2S)-4-amino-2-(2-ethoxyethylcarbamoylamino)-4-oxobutanoic acid
CID 63716980
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
(2R)-4-amino-2-(3-aminobutanoylamino)-4-oxobutanoic acid
CID 103870227
(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
CID 107937845
(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 107821449
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 134608659
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 61141581
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
4-amino-4-oxo-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61158475

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid (CID 28778474) is (2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid is CCOCC(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid?
The InChIKey is HDSWWXCOZMNCBW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-2-15-4-7(12)10-5(8(13)14)3-6(9)11/h5H,2-4H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 28778474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).