(2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid

C10H10N2O7 — CID 104875714

IUPAC(2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid
SMILESC[C@@H](OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H10N2O7/c1-6(10(13)14)19-5-7-2-3-8(11(15)16)4-9(7)12(17)18/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyDFCAHFWMNBIHHA-ZCFIWIBFSA-N
MW270.20 g/mol
LogP1.49
Rot. Bonds6

About (2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid

(2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid (PubChem CID 104875714) has the molecular formula C10H10N2O7 and a molecular weight of 270.20 g/mol. Its IUPAC name is (2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid
PubChem CID104875714
Molecular FormulaC10H10N2O7
Molecular Weight270.20 g/mol
Exact Mass270.05
IUPAC Name(2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid
SMILESC[C@@H](OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H10N2O7/c1-6(10(13)14)19-5-7-2-3-8(11(15)16)4-9(7)12(17)18/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyDFCAHFWMNBIHHA-ZCFIWIBFSA-N
XLogP1.49
TPSA132.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
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

2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine
CID 66222006
2-[(2,4-dinitrophenyl)methylsulfonyl]propanoic acid
CID 66222005
4-(2,4-dinitrophenyl)butan-2-ol
CID 66223081
1-[(4-methylphenoxy)methyl]-2,4-dinitrobenzene
CID 66222024
(2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid
CID 104875231
4-(2,4-dinitrophenyl)butan-2-one
CID 66223072
methyl 2-amino-3-(2,4-dinitrophenyl)propanoate
CID 66222638
2-(2,4-dinitrophenyl)acetic acid;ethyl 2-(2,4-dinitrophenyl)acetate
CID 173386473
2-[(2,4-dinitrophenyl)methylamino]pentanoic acid
CID 66220925
2-[(2,4-dinitrophenyl)methylamino]propan-1-ol
CID 66224134
(2,4-dinitroanilino) 2-methylpropanoate
CID 19598617
N-[(2,4-dinitrophenyl)methyl]-3-methylpentan-2-amine
CID 66223705

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid?
The IUPAC name of (2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid (CID 104875714) is (2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid?
The canonical SMILES for (2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid is C[C@@H](OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of (2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid?
The InChIKey is DFCAHFWMNBIHHA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10N2O7/c1-6(10(13)14)19-5-7-2-3-8(11(15)16)4-9(7)12(17)18/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid?
(2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid has a molecular weight of 270.20 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dinitrophenyl)methoxy]propanoic acid is sourced from PubChem (CID 104875714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).