4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid

C11H13N3O5 — CID 83267948

IUPAC4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1cnc(N2CC(O)CC2C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O5/c1-6-4-12-10(3-8(6)14(18)19)13-5-7(15)2-9(13)11(16)17/h3-4,7,9,15H,2,5H2,1H3,(H,16,17)
InChIKeyUMBQWCAAKXNABM-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.32
Rot. Bonds3

About 4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 83267948) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID83267948
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1cnc(N2CC(O)CC2C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O5/c1-6-4-12-10(3-8(6)14(18)19)13-5-7(15)2-9(13)11(16)17/h3-4,7,9,15H,2,5H2,1H3,(H,16,17)
InChIKeyUMBQWCAAKXNABM-UHFFFAOYSA-N
XLogP0.32
TPSA116.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
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

(2R,4S)-4-hydroxy-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 95987380
2-(5-methyl-4-nitro-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892322
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
CID 83271569
(2S)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964915
1-(5-bromo-2-nitrophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 65341387
4-hydroxy-1-(3-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 43461643
(2S,4R)-1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 7100462
4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 62959062
[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine
CID 83271655
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 83271926
2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 83271881

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 83267948) is 4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid is Cc1cnc(N2CC(O)CC2C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UMBQWCAAKXNABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-6-4-12-10(3-8(6)14(18)19)13-5-7(15)2-9(13)11(16)17/h3-4,7,9,15H,2,5H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83267948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).