(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid

C14H18N2O5 — CID 107821449

IUPAC(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
SMILESCCc1ccc(OCC(=O)N[C@H](CC(N)=O)C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-9-3-5-10(6-4-9)21-8-13(18)16-11(14(19)20)7-12(15)17/h3-6,11H,2,7-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyXJAKJRYUUVABOP-LLVKDONJSA-N
MW294.31 g/mol
LogP0.07
Rot. Bonds8

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

(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid (PubChem CID 107821449) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
PubChem CID107821449
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
SMILESCCc1ccc(OCC(=O)N[C@H](CC(N)=O)C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-9-3-5-10(6-4-9)21-8-13(18)16-11(14(19)20)7-12(15)17/h3-6,11H,2,7-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1
InChIKeyXJAKJRYUUVABOP-LLVKDONJSA-N
XLogP0.07
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 61141581
2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid
CID 43239975
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
(3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide
CID 95787110
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
2-(4-ethylphenoxy)-N-methoxyacetamide
CID 60716979
(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid
CID 28778474
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
4-amino-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 43242018
2-[[2-(4-cyanophenoxy)acetyl]amino]butanedioic acid
CID 78910236
(2R)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822845

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid (CID 107821449) is (2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid is CCc1ccc(OCC(=O)N[C@H](CC(N)=O)C(=O)O)cc1.
What is the InChIKey of (2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid?
The InChIKey is XJAKJRYUUVABOP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-9-3-5-10(6-4-9)21-8-13(18)16-11(14(19)20)7-12(15)17/h3-6,11H,2,7-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.07, 8 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-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107821449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).