(2S)-2-formylpyrrolidine-2-carboxylic acid

C6H9NO3 — CID 175746103

IUPAC(2S)-2-formylpyrrolidine-2-carboxylic acid
SMILESO=C[C@]1(C(=O)O)CCCN1
InChIInChI=1S/C6H9NO3/c8-4-6(5(9)10)2-1-3-7-6/h4,7H,1-3H2,(H,9,10)/t6-/m0/s1
InChIKeyHDBVRFWSAIVBJW-LURJTMIESA-N
MW143.14 g/mol
LogP-0.61
Rot. Bonds2

About (2S)-2-formylpyrrolidine-2-carboxylic acid

(2S)-2-formylpyrrolidine-2-carboxylic acid (PubChem CID 175746103) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-2-formylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-formylpyrrolidine-2-carboxylic acid
PubChem CID175746103
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-2-formylpyrrolidine-2-carboxylic acid
SMILESO=C[C@]1(C(=O)O)CCCN1
InChIInChI=1S/C6H9NO3/c8-4-6(5(9)10)2-1-3-7-6/h4,7H,1-3H2,(H,9,10)/t6-/m0/s1
InChIKeyHDBVRFWSAIVBJW-LURJTMIESA-N
XLogP-0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-formylpyrrolidine-2-carboxylic acid
CID 139777637
2-fluoropyrrolidine-2-carboxylic acid
CID 68687263
(2S)-2-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 70246259
methanol;2-methylpyrrolidine-2-carbaldehyde
CID 143757683
2-(hydroxymethyl)piperidine-2-carbaldehyde
CID 171840707
2-methylpyrrolidine-2-carbaldehyde;hydrochloride
CID 175842534
2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 117272111
2-[(E)-but-2-enyl]pyrrolidine-2-carboxylic acid
CID 115563173
(2R)-2-piperidin-1-ylpyrrolidine-2-carboxylic acid
CID 122588259
(2S)-2-prop-1-ynylpyrrolidine-2-carboxylic acid
CID 131000831
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385
(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid
CID 67820831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-formylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-formylpyrrolidine-2-carboxylic acid (CID 175746103) is (2S)-2-formylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-formylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-formylpyrrolidine-2-carboxylic acid is O=C[C@]1(C(=O)O)CCCN1.
What is the InChIKey of (2S)-2-formylpyrrolidine-2-carboxylic acid?
The InChIKey is HDBVRFWSAIVBJW-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NO3/c8-4-6(5(9)10)2-1-3-7-6/h4,7H,1-3H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-formylpyrrolidine-2-carboxylic acid?
(2S)-2-formylpyrrolidine-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175746103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).