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

C13H16ClNO4 — CID 60753235

IUPACmethyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-9(13(17)18-2)15-12(16)7-8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyBUOTZUCBJGARRP-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.79
Rot. Bonds6

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

methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate (PubChem CID 60753235) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
PubChem CID60753235
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Namemethyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-9(13(17)18-2)15-12(16)7-8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyBUOTZUCBJGARRP-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

methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
2-[3-(2-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 43353996
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
2-[3-(2-chlorophenoxy)propanoylamino]butanoic acid
CID 43469356
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
3-(2-chlorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798898
(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide
CID 95158067
3-[3-(2-chlorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676014
3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103940851
(2S)-2-[3-(2-chlorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107822558

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate?
The IUPAC name of methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate (CID 60753235) is methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate.
What is the SMILES notation for methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate?
The canonical SMILES for methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate is COC(=O)C(C)NC(=O)CCOc1ccccc1Cl.
What is the InChIKey of methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate?
The InChIKey is BUOTZUCBJGARRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-9(13(17)18-2)15-12(16)7-8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate?
methyl 2-[3-(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 2-[3-(2-chlorophenoxy)propanoylamino]propanoate is sourced from PubChem (CID 60753235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).