methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate

C11H13NO6 — CID 103337970

IUPACmethyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H13NO6/c1-7(11(13)17-3)18-9-5-4-8(12(14)15)6-10(9)16-2/h4-7H,1-3H3/t7-/m1/s1
InChIKeyBNUADRKZMPOPQV-SSDOTTSWSA-N
MW255.23 g/mol
LogP1.54
Rot. Bonds5

About methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate

methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate (PubChem CID 103337970) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
PubChem CID103337970
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Namemethyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H13NO6/c1-7(11(13)17-3)18-9-5-4-8(12(14)15)6-10(9)16-2/h4-7H,1-3H3/t7-/m1/s1
InChIKeyBNUADRKZMPOPQV-SSDOTTSWSA-N
XLogP1.54
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-methoxy-5-nitrophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 7931835
3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate
CID 2237504
2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine
CID 106840021
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7757422
methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
CID 63366880
3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
CID 2981353
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
methyl 2-(2-methoxy-4-nitrophenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 114242164
(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931785
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7931851
methyl 2-[4-(4-nitrophenoxy)phenoxy]propanoate
CID 71372462
methyl 2-(4-chloro-2-nitrophenoxy)propanoate
CID 54941361

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate (CID 103337970) is methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate is COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate?
The InChIKey is BNUADRKZMPOPQV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13NO6/c1-7(11(13)17-3)18-9-5-4-8(12(14)15)6-10(9)16-2/h4-7H,1-3H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate?
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate has a molecular weight of 255.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate is sourced from PubChem (CID 103337970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).