3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide

C13H16N2O4 — CID 23297556

IUPAC3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide
SMILESO=C(Cc1ccccc1)NC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C13H16N2O4/c16-10-7-15(8-11(10)17)13(19)14-12(18)6-9-4-2-1-3-5-9/h1-5,10-11,16-17H,6-8H2,(H,14,18,19)
InChIKeyBSENXEQKMATFKI-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.50
Rot. Bonds2

About 3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide

3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide (PubChem CID 23297556) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide
PubChem CID23297556
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide
SMILESO=C(Cc1ccccc1)NC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C13H16N2O4/c16-10-7-15(8-11(10)17)13(19)14-12(18)6-9-4-2-1-3-5-9/h1-5,10-11,16-17H,6-8H2,(H,14,18,19)
InChIKeyBSENXEQKMATFKI-UHFFFAOYSA-N
XLogP-0.50
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide (CID 23297556) is 3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide is O=C(Cc1ccccc1)NC(=O)N1CC(O)C(O)C1.
What is the InChIKey of 3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide?
The InChIKey is BSENXEQKMATFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-10-7-15(8-11(10)17)13(19)14-12(18)6-9-4-2-1-3-5-9/h1-5,10-11,16-17H,6-8H2,(H,14,18,19).
What are the key properties of 3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide?
3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 23297556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).