(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid

C9H9NO6 — CID 166746299

IUPAC(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
SMILESO=C(O)[C@H](O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9NO6/c11-8(9(12)13)5-16-7-3-1-6(2-4-7)10(14)15/h1-4,8,11H,5H2,(H,12,13)/t8-/m1/s1
InChIKeyRREPNZAMISZDMN-MRVPVSSYSA-N
MW227.17 g/mol
LogP0.42
Rot. Bonds5

About (2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid

(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid (PubChem CID 166746299) has the molecular formula C9H9NO6 and a molecular weight of 227.17 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
PubChem CID166746299
Molecular FormulaC9H9NO6
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
SMILESO=C(O)[C@H](O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9NO6/c11-8(9(12)13)5-16-7-3-1-6(2-4-7)10(14)15/h1-4,8,11H,5H2,(H,12,13)/t8-/m1/s1
InChIKeyRREPNZAMISZDMN-MRVPVSSYSA-N
XLogP0.42
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
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

1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
CID 10493641
(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
CID 30078485
(2S)-4-methyl-1-(4-nitrophenoxy)pentan-2-ol
CID 139311755
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
3-(4-aminophenoxy)-2-hydroxypropanoic acid
CID 166746246
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
[1-nitrooxy-3-(4-nitrophenoxy)propan-2-yl] nitrate
CID 54170607
3-hydroxy-5-(4-nitrophenoxy)pentanoic acid
CID 18767504
1-anilino-3-(4-nitrophenoxy)propan-2-ol
CID 2883975
3-(4-nitrophenoxy)propanoate
CID 6993075
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
1-(benzylamino)-3-(4-nitrophenoxy)propan-2-ol
CID 42614705

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid?
The IUPAC name of (2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid (CID 166746299) is (2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid is O=C(O)[C@H](O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid?
The InChIKey is RREPNZAMISZDMN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9NO6/c11-8(9(12)13)5-16-7-3-1-6(2-4-7)10(14)15/h1-4,8,11H,5H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid?
(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid has a molecular weight of 227.17 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid is sourced from PubChem (CID 166746299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).