ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate

C21H24ClNO4 — CID 7310519

IUPACethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate
SMILESCCOC(=O)C[C@H](NC(=O)COc1ccc(CC)cc1)c1ccccc1Cl
InChIInChI=1S/C21H24ClNO4/c1-3-15-9-11-16(12-10-15)27-14-20(24)23-19(13-21(25)26-4-2)17-7-5-6-8-18(17)22/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyABZVLZGLUNUJRF-IBGZPJMESA-N
MW389.88 g/mol
LogP4.09
Rot. Bonds9

About ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate

ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate (PubChem CID 7310519) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate
PubChem CID7310519
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Nameethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate
SMILESCCOC(=O)C[C@H](NC(=O)COc1ccc(CC)cc1)c1ccccc1Cl
InChIInChI=1S/C21H24ClNO4/c1-3-15-9-11-16(12-10-15)27-14-20(24)23-19(13-21(25)26-4-2)17-7-5-6-8-18(17)22/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyABZVLZGLUNUJRF-IBGZPJMESA-N
XLogP4.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-(2-chlorophenyl)-3-(4-phenylbutanoylamino)propanoate
CID 7310535
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
3-(2-chlorophenyl)-3-[(2-ethoxyacetyl)amino]propanoic acid
CID 71896146
ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 7045199
(3S)-3-(4-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoic acid
CID 7045114
methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate
CID 51256852
[2-(ethoxycarbonylamino)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757828
ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 7310515
[2-oxo-2-(pentan-3-ylamino)ethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757813
ethyl (3R)-3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 7045197
[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757798
ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 5164713

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate?
The IUPAC name of ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate (CID 7310519) is ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate?
The canonical SMILES for ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate is CCOC(=O)C[C@H](NC(=O)COc1ccc(CC)cc1)c1ccccc1Cl.
What is the InChIKey of ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate?
The InChIKey is ABZVLZGLUNUJRF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24ClNO4/c1-3-15-9-11-16(12-10-15)27-14-20(24)23-19(13-21(25)26-4-2)17-7-5-6-8-18(17)22/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate?
ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate has a molecular weight of 389.88 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 7310519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).