(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid

C6H9NO4 — CID 87590455

IUPAC(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C[C@@H]1C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C6H9NO4/c8-3-4-1-5(9)2-7(4)6(10)11/h3-5,9H,1-2H2,(H,10,11)/t4-,5+/m0/s1
InChIKeyKUZPAYZGPUGZSU-CRCLSJGQSA-N
MW159.14 g/mol
LogP-0.70
Rot. Bonds1

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

(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 87590455) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID87590455
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C[C@@H]1C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C6H9NO4/c8-3-4-1-5(9)2-7(4)6(10)11/h3-5,9H,1-2H2,(H,10,11)/t4-,5+/m0/s1
InChIKeyKUZPAYZGPUGZSU-CRCLSJGQSA-N
XLogP-0.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid
CID 134282102
4-hydroxy-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carbaldehyde
CID 163386470
tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol
CID 143021832
benzyl (2S,4S)-2-formyl-4-hydroxypyrrolidine-1-carboxylate
CID 54234603
(2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde
CID 22859484
(2R)-4-hydroxy-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde
CID 57307705
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 66605152
(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 175152885
(2R,5S)-2-formyl-5-propan-2-ylpiperazine-1,4-dicarboxylic acid
CID 87617088
tert-butyl N-[2-[(2S,4S)-2-formyl-4-hydroxypyrrolidin-1-yl]-2-sulfanylideneethyl]carbamate
CID 59926953
(2S,4R)-2-ethynyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87961970

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid (CID 87590455) is (2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid is O=C[C@@H]1C[C@@H](O)CN1C(=O)O.
What is the InChIKey of (2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is KUZPAYZGPUGZSU-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9NO4/c8-3-4-1-5(9)2-7(4)6(10)11/h3-5,9H,1-2H2,(H,10,11)/t4-,5+/m0/s1.
What are the key properties of (2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid?
(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 87590455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).