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

C13H16ClNO3 — CID 50851083

IUPACethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c1-2-18-13(17)7-8-15-12(16)9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,15,16)
InChIKeySGLSDULOEWQKRD-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.95
Rot. Bonds6

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

ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate (PubChem CID 50851083) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
PubChem CID50851083
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Nameethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c1-2-18-13(17)7-8-15-12(16)9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,15,16)
InChIKeySGLSDULOEWQKRD-UHFFFAOYSA-N
XLogP1.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate
CID 108892013
N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
CID 62667824
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]-2-oxopropanoate
CID 165091165
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
CID 47437704
ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate
CID 91714717
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680
2-(4-chlorophenyl)-N-ethoxyacetamide
CID 25353081

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate (CID 50851083) is ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate is CCOC(=O)CCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
The InChIKey is SGLSDULOEWQKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-2-18-13(17)7-8-15-12(16)9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,15,16).
What are the key properties of ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate has a molecular weight of 269.73 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate is sourced from PubChem (CID 50851083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).