4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid

C11H12N2O5 — CID 43461643

IUPAC4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H12N2O5/c14-9-5-10(11(15)16)12(6-9)7-2-1-3-8(4-7)13(17)18/h1-4,9-10,14H,5-6H2,(H,15,16)
InChIKeyQURGFBZXYHGHGK-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.62
Rot. Bonds3

About 4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 43461643) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid
PubChem CID43461643
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H12N2O5/c14-9-5-10(11(15)16)12(6-9)7-2-1-3-8(4-7)13(17)18/h1-4,9-10,14H,5-6H2,(H,15,16)
InChIKeyQURGFBZXYHGHGK-UHFFFAOYSA-N
XLogP0.62
TPSA103.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.62
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

4-methyl-1-(3-nitrophenyl)piperidine-2-carboxylic acid
CID 114422221
4-ethyl-1-(3-nitrophenyl)piperidine-2-carboxylic acid
CID 114427504
4-hydroxy-1-[2-(3-nitrophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 104540959
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
4-hydroxy-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 4844978
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
4-methyl-1-(3-nitrophenyl)piperidin-3-ol
CID 113347866
1-(5-bromo-2-nitrophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 65341387
4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 83267948
(2S,4R)-1-(2-chloro-5-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841965
(2R,4R)-1-(2-fluoro-4-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000643
(2S,4R)-4-hydroxy-1-(4-nitro-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 28741566

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid (CID 43461643) is 4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QURGFBZXYHGHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-9-5-10(11(15)16)12(6-9)7-2-1-3-8(4-7)13(17)18/h1-4,9-10,14H,5-6H2,(H,15,16).
What are the key properties of 4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43461643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).