methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate

C13H16ClNO4 — CID 60739964

IUPACmethyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
SMILESCOC(=O)CCNC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-9(13(17)15-8-7-12(16)18-2)19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyYIMASUOLPIOYPI-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.79
Rot. Bonds6

About methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate

methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate (PubChem CID 60739964) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
PubChem CID60739964
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Namemethyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
SMILESCOC(=O)CCNC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-9(13(17)15-8-7-12(16)18-2)19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyYIMASUOLPIOYPI-UHFFFAOYSA-N
XLogP1.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
ethyl 4-[2-(2-chlorophenoxy)propanoylamino]butanoate
CID 60739618
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111460590
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide
CID 55952611
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid
CID 103152889
methyl (E)-4-[2-(2-chlorophenoxy)propanoylamino]but-2-enoate
CID 146099633

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate?
The IUPAC name of methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate (CID 60739964) is methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate?
The canonical SMILES for methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate is COC(=O)CCNC(=O)C(C)Oc1ccccc1Cl.
What is the InChIKey of methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate?
The InChIKey is YIMASUOLPIOYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-9(13(17)15-8-7-12(16)18-2)19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate?
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate has a molecular weight of 285.73 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate is sourced from PubChem (CID 60739964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).