1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C14H18N2O4 — CID 53480675

IUPAC1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC(Cc1ccccc1)C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(18)16-8-10(17)7-12(16)14(19)20/h1-5,10-12,17H,6-8,15H2,(H,19,20)
InChIKeyWJSNJMXOBDSZDL-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.40
Rot. Bonds4

About 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 53480675) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID53480675
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC(Cc1ccccc1)C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(18)16-8-10(17)7-12(16)14(19)20/h1-5,10-12,17H,6-8,15H2,(H,19,20)
InChIKeyWJSNJMXOBDSZDL-UHFFFAOYSA-N
XLogP-0.40
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 53480675) is 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is NC(Cc1ccccc1)C(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is WJSNJMXOBDSZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-11(6-9-4-2-1-3-5-9)13(18)16-8-10(17)7-12(16)14(19)20/h1-5,10-12,17H,6-8,15H2,(H,19,20).
What are the key properties of 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 53480675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).