(2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid

C11H13NO6 — CID 104875231

IUPAC(2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid
SMILESCOc1ccc(CO[C@H](C)C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13NO6/c1-7(11(13)14)18-6-8-3-4-10(17-2)9(5-8)12(15)16/h3-5,7H,6H2,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyNYHWQFGGXLSQSW-SSDOTTSWSA-N
MW255.23 g/mol
LogP1.59
Rot. Bonds6

About (2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid

(2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid (PubChem CID 104875231) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is (2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid
PubChem CID104875231
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name(2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid
SMILESCOc1ccc(CO[C@H](C)C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13NO6/c1-7(11(13)14)18-6-8-3-4-10(17-2)9(5-8)12(15)16/h3-5,7H,6H2,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyNYHWQFGGXLSQSW-SSDOTTSWSA-N
XLogP1.59
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-[(4-methoxy-3-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63338048
3-methoxy-2-[(4-methoxy-3-nitrophenyl)methyl]-3-oxopropanoic acid
CID 103973341
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]butanoic acid
CID 105353097
4-[(3,5-dimethylphenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 60772192
methyl 3-(4-methoxy-3-nitrophenyl)-2-oxopropanoate
CID 96827543
(2S)-2-azaniumyl-3-(4-methoxy-3-nitrophenyl)propanoate
CID 6561337
2-(4-methoxy-3-nitrophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid
CID 69463616
2-[(4-methoxy-3-nitrophenyl)methylamino]propan-1-ol
CID 43499927
3-(4-methoxy-3-nitrophenyl)-2-sulfonylpropanoic acid
CID 87118165
2-amino-4-[(4-methoxy-3-nitrophenyl)methylsulfanyl]butanoic acid
CID 60929864
(4-methoxy-3-nitrophenyl)methanesulfinic acid
CID 165455240
2-(4-methoxy-3-nitroanilino)propanoic acid
CID 113385258

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid?
The IUPAC name of (2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid (CID 104875231) is (2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid?
The canonical SMILES for (2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid is COc1ccc(CO[C@H](C)C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid?
The InChIKey is NYHWQFGGXLSQSW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13NO6/c1-7(11(13)14)18-6-8-3-4-10(17-2)9(5-8)12(15)16/h3-5,7H,6H2,1-2H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid?
(2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid has a molecular weight of 255.23 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid is sourced from PubChem (CID 104875231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).