(2S)-4-formylpyrrolidine-2-carboxylic acid

C6H9NO3 — CID 54392405

IUPAC(2S)-4-formylpyrrolidine-2-carboxylic acid
SMILESO=CC1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H9NO3/c8-3-4-1-5(6(9)10)7-2-4/h3-5,7H,1-2H2,(H,9,10)/t4?,5-/m0/s1
InChIKeyVHOVPEFSJKDBIQ-AKGZTFGVSA-N
MW143.14 g/mol
LogP-0.75
Rot. Bonds2

About (2S)-4-formylpyrrolidine-2-carboxylic acid

(2S)-4-formylpyrrolidine-2-carboxylic acid (PubChem CID 54392405) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-4-formylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-formylpyrrolidine-2-carboxylic acid
PubChem CID54392405
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-4-formylpyrrolidine-2-carboxylic acid
SMILESO=CC1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H9NO3/c8-3-4-1-5(6(9)10)7-2-4/h3-5,7H,1-2H2,(H,9,10)/t4?,5-/m0/s1
InChIKeyVHOVPEFSJKDBIQ-AKGZTFGVSA-N
XLogP-0.75
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 ≤ 5-0.75
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

4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 172831343
(2S)-4-aminopyrrolidine-2-carboxylic acid
CID 21120376
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid
CID 10822635
butyl 4-formylpyrrolidine-2-carboxylate
CID 152730408
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 54517485
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid
CID 69415459
(2S,4R)-4-(methylideneamino)pyrrolidine-2-carboxylic acid
CID 146918311
(3S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 23238236

Frequently Asked Questions

What is the IUPAC name of (2S)-4-formylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-formylpyrrolidine-2-carboxylic acid (CID 54392405) is (2S)-4-formylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-formylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-formylpyrrolidine-2-carboxylic acid is O=CC1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-formylpyrrolidine-2-carboxylic acid?
The InChIKey is VHOVPEFSJKDBIQ-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H9NO3/c8-3-4-1-5(6(9)10)7-2-4/h3-5,7H,1-2H2,(H,9,10)/t4?,5-/m0/s1.
What are the key properties of (2S)-4-formylpyrrolidine-2-carboxylic acid?
(2S)-4-formylpyrrolidine-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-formylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54392405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).