(2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid

C15H13NO5 — CID 100548183

IUPAC(2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid
SMILESO=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccccc1
InChIInChI=1S/C15H13NO5/c17-15(18)14(21-13-7-2-1-3-8-13)10-11-5-4-6-12(9-11)16(19)20/h1-9,14H,10H2,(H,17,18)/t14-/m1/s1
InChIKeyNMSXWLDPUUGCMT-CQSZACIVSA-N
MW287.27 g/mol
LogP2.67
Rot. Bonds6

About (2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid

(2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid (PubChem CID 100548183) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is (2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid
PubChem CID100548183
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name(2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid
SMILESO=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccccc1
InChIInChI=1S/C15H13NO5/c17-15(18)14(21-13-7-2-1-3-8-13)10-11-5-4-6-12(9-11)16(19)20/h1-9,14H,10H2,(H,17,18)/t14-/m1/s1
InChIKeyNMSXWLDPUUGCMT-CQSZACIVSA-N
XLogP2.67
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methoxyphenoxy)-3-(3-nitrophenyl)propanoic acid
CID 133241275
(2R)-2-ethoxy-3-(3-nitrophenyl)propanoic acid
CID 99870177
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
phenyl 2-(3-nitrophenyl)acetate
CID 86103388
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
2-chloro-2-(3-nitrophenoxy)acetic acid
CID 87465859
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
1-amino-2-(3-nitrophenyl)ethanol
CID 67570704
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid?
The IUPAC name of (2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid (CID 100548183) is (2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid.
What is the SMILES notation for (2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid?
The canonical SMILES for (2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid is O=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccccc1.
What is the InChIKey of (2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid?
The InChIKey is NMSXWLDPUUGCMT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13NO5/c17-15(18)14(21-13-7-2-1-3-8-13)10-11-5-4-6-12(9-11)16(19)20/h1-9,14H,10H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid?
(2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid has a molecular weight of 287.27 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-nitrophenyl)-2-phenoxypropanoic acid is sourced from PubChem (CID 100548183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).