(2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid

C11H11NO7 — CID 1494514

IUPAC(2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid
SMILESCOc1cc([N+](=O)[O-])cc(C=O)c1O[C@H](C)C(=O)O
InChIInChI=1S/C11H11NO7/c1-6(11(14)15)19-10-7(5-13)3-8(12(16)17)4-9(10)18-2/h3-6H,1-2H3,(H,14,15)/t6-/m1/s1
InChIKeyMIQCEOGOTBKVCB-ZCFIWIBFSA-N
MW269.21 g/mol
LogP1.27
Rot. Bonds6

About (2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid

(2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid (PubChem CID 1494514) has the molecular formula C11H11NO7 and a molecular weight of 269.21 g/mol. Its IUPAC name is (2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid
PubChem CID1494514
Molecular FormulaC11H11NO7
Molecular Weight269.21 g/mol
Exact Mass269.05
IUPAC Name(2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid
SMILESCOc1cc([N+](=O)[O-])cc(C=O)c1O[C@H](C)C(=O)O
InChIInChI=1S/C11H11NO7/c1-6(11(14)15)19-10-7(5-13)3-8(12(16)17)4-9(10)18-2/h3-6H,1-2H3,(H,14,15)/t6-/m1/s1
InChIKeyMIQCEOGOTBKVCB-ZCFIWIBFSA-N
XLogP1.27
TPSA115.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-6-iodo-4-nitrophenoxy)propanoic acid
CID 4763779
(2S)-2-(2-ethoxy-6-formyl-4-nitrophenoxy)propanoate
CID 7364294
3-ethoxy-5-nitro-2-propan-2-yloxybenzaldehyde
CID 100582251
2-(2-formyl-6-methoxy-4-nitrophenyl)acetic acid
CID 171023666
(E)-3-(2-formyl-6-methoxy-4-nitrophenyl)prop-2-enoic acid
CID 171023140
2-(difluoromethoxy)-3-formyl-5-nitrobenzoic acid
CID 171027609
3-formyl-2-methoxy-5-nitrobenzamide
CID 171022744
2-(2-bromoacetyl)-3-methoxy-5-nitrobenzaldehyde
CID 171023169
2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoic acid
CID 4763755
2,3-dimethoxy-5-nitrobenzoic acid
CID 12007954
2-formyl-3-methoxy-5-nitrobenzoic acid
CID 171023213
methyl 2-[2-methoxy-6-[(E)-[(E)-[3-methoxy-2-(1-methoxy-1-oxobutan-2-yl)oxy-5-nitrophenyl]methylidenehydrazinylidene]methyl]-4-nitrophenoxy]butanoate
CID 24740350

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid?
The IUPAC name of (2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid (CID 1494514) is (2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid?
The canonical SMILES for (2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid is COc1cc([N+](=O)[O-])cc(C=O)c1O[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid?
The InChIKey is MIQCEOGOTBKVCB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11NO7/c1-6(11(14)15)19-10-7(5-13)3-8(12(16)17)4-9(10)18-2/h3-6H,1-2H3,(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid?
(2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid has a molecular weight of 269.21 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid is sourced from PubChem (CID 1494514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).