3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid

C13H16ClNO4 — CID 71896146

IUPAC3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid
SMILESCCOCC(=O)NC(CC(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-2-19-8-12(16)15-11(7-13(17)18)9-5-3-4-6-10(9)14/h3-6,11H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyDMCWKFZTIJQPJE-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.01
Rot. Bonds7

About 3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid

3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid (PubChem CID 71896146) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid
PubChem CID71896146
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid
SMILESCCOCC(=O)NC(CC(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-2-19-8-12(16)15-11(7-13(17)18)9-5-3-4-6-10(9)14/h3-6,11H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyDMCWKFZTIJQPJE-UHFFFAOYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate
CID 7310519
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345
ethyl (3S)-3-(2-chlorophenyl)-3-(4-phenylbutanoylamino)propanoate
CID 7310535
N-(2-amino-1-phenylethyl)-2-ethoxyacetamide
CID 63755765
copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
[2-oxo-2-(pentan-3-ylamino)ethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757813
(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124736619
[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757798
propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate
CID 51926264
[2-(ethoxycarbonylamino)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757828

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid (CID 71896146) is 3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid is CCOCC(=O)NC(CC(=O)O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid?
The InChIKey is DMCWKFZTIJQPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-2-19-8-12(16)15-11(7-13(17)18)9-5-3-4-6-10(9)14/h3-6,11H,2,7-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid?
3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid has a molecular weight of 285.73 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 71896146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).