(2S)-2-(2-nitrophenoxy)propanoic acid

C9H9NO5 — CID 841636

IUPAC(2S)-2-(2-nitrophenoxy)propanoic acid
SMILESC[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C9H9NO5/c1-6(9(11)12)15-8-5-3-2-4-7(8)10(13)14/h2-6H,1H3,(H,11,12)/t6-/m0/s1
InChIKeyMALMTWYTOBLCBT-LURJTMIESA-N
MW211.17 g/mol
LogP1.45
Rot. Bonds4

About (2S)-2-(2-nitrophenoxy)propanoic acid

(2S)-2-(2-nitrophenoxy)propanoic acid (PubChem CID 841636) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is (2S)-2-(2-nitrophenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-nitrophenoxy)propanoic acid
PubChem CID841636
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name(2S)-2-(2-nitrophenoxy)propanoic acid
SMILESC[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C9H9NO5/c1-6(9(11)12)15-8-5-3-2-4-7(8)10(13)14/h2-6H,1H3,(H,11,12)/t6-/m0/s1
InChIKeyMALMTWYTOBLCBT-LURJTMIESA-N
XLogP1.45
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.45
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

(2S)-2-(2-chloro-3-nitrophenoxy)propanoic acid
CID 90041073
(2R)-2-(2-bromo-3-nitrophenoxy)propanoic acid
CID 103338217
(2S)-2-(4-nitronaphthalen-1-yl)oxypropanoic acid
CID 98580976
2-(2-nitrophenoxy)-N-[8-[2-(2-nitrophenoxy)propanoylamino]octyl]propanamide
CID 17233381
2-(2-nitrophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 4943757
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
2-(2-nitrophenoxy)-1-[4-[2-(2-nitrophenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981274
2-[2-(2-nitrophenoxy)propanoylamino]ethyl nitrate
CID 15839962
(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7503731
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-nitrophenoxy)propanoic acid?
The IUPAC name of (2S)-2-(2-nitrophenoxy)propanoic acid (CID 841636) is (2S)-2-(2-nitrophenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(2-nitrophenoxy)propanoic acid?
The canonical SMILES for (2S)-2-(2-nitrophenoxy)propanoic acid is C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of (2S)-2-(2-nitrophenoxy)propanoic acid?
The InChIKey is MALMTWYTOBLCBT-LURJTMIESA-N. The full InChI is InChI=1S/C9H9NO5/c1-6(9(11)12)15-8-5-3-2-4-7(8)10(13)14/h2-6H,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(2-nitrophenoxy)propanoic acid?
(2S)-2-(2-nitrophenoxy)propanoic acid has a molecular weight of 211.17 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-nitrophenoxy)propanoic acid is sourced from PubChem (CID 841636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).