(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid

C7H11NO4 — CID 134282102

IUPAC(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid
SMILESCO[C@@H]1C[C@H](C=O)N(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-12-6-2-5(4-9)8(3-6)7(10)11/h4-6H,2-3H2,1H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyWXTIUTRJXGGTFV-PHDIDXHHSA-N
MW173.17 g/mol
LogP-0.05
Rot. Bonds2

About (2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid

(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid (PubChem CID 134282102) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid
PubChem CID134282102
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid
SMILESCO[C@@H]1C[C@H](C=O)N(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-12-6-2-5(4-9)8(3-6)7(10)11/h4-6H,2-3H2,1H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyWXTIUTRJXGGTFV-PHDIDXHHSA-N
XLogP-0.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R,4S)-2-formyl-4-methoxypyrrolidine-1-carboxylate
CID 124652560
(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87590455
(2S,4R)-2-formyl-4-phenylmethoxypyrrolidine-1-carboxylic acid
CID 90217678
4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 21251523
(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 154005523
N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide
CID 143202416
(2S,5S)-1-acetyl-5-methoxypiperidine-2-carbaldehyde
CID 130291367
(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid
CID 166681264
2-hydroxy-5-methoxypiperidine-1-carboxylic acid
CID 151000753
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 167729627
1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 155238412
(2R,5S)-2-formyl-5-propan-2-ylpiperazine-1,4-dicarboxylic acid
CID 87617088

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid (CID 134282102) is (2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid is CO[C@@H]1C[C@H](C=O)N(C(=O)O)C1.
What is the InChIKey of (2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid?
The InChIKey is WXTIUTRJXGGTFV-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11NO4/c1-12-6-2-5(4-9)8(3-6)7(10)11/h4-6H,2-3H2,1H3,(H,10,11)/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid?
(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 134282102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).