(2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid

C15H17N3O5 — CID 16736941

IUPAC(2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid
SMILESO=CNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
InChIInChI=1S/C15H17N3O5/c19-9-16-7-13(20)18-8-11(6-12(18)15(22)23)17-14(21)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,16,19)(H,17,21)(H,22,23)/t11-,12+/m1/s1
InChIKeyXMYARXHHOGTBQV-NEPJUHHUSA-N
MW319.32 g/mol
LogP-0.78
Rot. Bonds6

About (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 16736941) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid
PubChem CID16736941
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name(2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid
SMILESO=CNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
InChIInChI=1S/C15H17N3O5/c19-9-16-7-13(20)18-8-11(6-12(18)15(22)23)17-14(21)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,16,19)(H,17,21)(H,22,23)/t11-,12+/m1/s1
InChIKeyXMYARXHHOGTBQV-NEPJUHHUSA-N
XLogP-0.78
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid (CID 16736941) is (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid is O=CNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XMYARXHHOGTBQV-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H17N3O5/c19-9-16-7-13(20)18-8-11(6-12(18)15(22)23)17-14(21)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,16,19)(H,17,21)(H,22,23)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-benzamido-1-(2-formamidoacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16736941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).