ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate

C14H18ClNO4 — CID 47393625

IUPACethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C14H18ClNO4/c1-4-19-14(18)9(2)16-13(17)10(3)20-12-8-6-5-7-11(12)15/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyVRUSCNPJKVDCGO-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.18
Rot. Bonds6

About ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate

ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate (PubChem CID 47393625) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
PubChem CID47393625
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Nameethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C14H18ClNO4/c1-4-19-14(18)9(2)16-13(17)10(3)20-12-8-6-5-7-11(12)15/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyVRUSCNPJKVDCGO-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid
CID 43469679
ethyl 4-[2-(2-chlorophenoxy)propanoylamino]butanoate
CID 60739618
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
CID 47494461
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
CID 119586798
(2S,3S)-2-[2-(2-chlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61137417
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
(2-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69010591
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate?
The IUPAC name of ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate (CID 47393625) is ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate?
The canonical SMILES for ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate is CCOC(=O)C(C)NC(=O)C(C)Oc1ccccc1Cl.
What is the InChIKey of ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate?
The InChIKey is VRUSCNPJKVDCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-4-19-14(18)9(2)16-13(17)10(3)20-12-8-6-5-7-11(12)15/h5-10H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate?
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate has a molecular weight of 299.75 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate is sourced from PubChem (CID 47393625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).