(2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid

C14H17NO3 — CID 20672313

IUPAC(2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1C[C@H](c2ccccc2)[C@@H](C=O)C1
InChIInChI=1S/C14H17NO3/c1-10(14(17)18)15-7-12(9-16)13(8-15)11-5-3-2-4-6-11/h2-6,9-10,12-13H,7-8H2,1H3,(H,17,18)/t10-,12-,13-/m1/s1
InChIKeyZYPDPFCDTZLYKD-RAIGVLPGSA-N
MW247.29 g/mol
LogP1.37
Rot. Bonds4

About (2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid

(2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid (PubChem CID 20672313) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid
PubChem CID20672313
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1C[C@H](c2ccccc2)[C@@H](C=O)C1
InChIInChI=1S/C14H17NO3/c1-10(14(17)18)15-7-12(9-16)13(8-15)11-5-3-2-4-6-11/h2-6,9-10,12-13H,7-8H2,1H3,(H,17,18)/t10-,12-,13-/m1/s1
InChIKeyZYPDPFCDTZLYKD-RAIGVLPGSA-N
XLogP1.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid (CID 20672313) is (2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid is C[C@H](C(=O)O)N1C[C@H](c2ccccc2)[C@@H](C=O)C1.
What is the InChIKey of (2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid?
The InChIKey is ZYPDPFCDTZLYKD-RAIGVLPGSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(14(17)18)15-7-12(9-16)13(8-15)11-5-3-2-4-6-11/h2-6,9-10,12-13H,7-8H2,1H3,(H,17,18)/t10-,12-,13-/m1/s1.
What are the key properties of (2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid?
(2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 20672313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).