(2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid

C15H19N3O4 — CID 16737183

IUPAC(2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
InChIInChI=1S/C15H19N3O4/c1-16-8-13(19)18-9-11(7-12(18)15(21)22)17-14(20)10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3,(H,17,20)(H,21,22)/t11-,12+/m1/s1
InChIKeyYEPVKXVZWITHHP-NEPJUHHUSA-N
MW305.33 g/mol
LogP-0.31
Rot. Bonds5

About (2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 16737183) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID16737183
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCNCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
InChIInChI=1S/C15H19N3O4/c1-16-8-13(19)18-9-11(7-12(18)15(21)22)17-14(20)10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3,(H,17,20)(H,21,22)/t11-,12+/m1/s1
InChIKeyYEPVKXVZWITHHP-NEPJUHHUSA-N
XLogP-0.31
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid (CID 16737183) is (2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid is 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-(methylamino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YEPVKXVZWITHHP-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-16-8-13(19)18-9-11(7-12(18)15(21)22)17-14(20)10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3,(H,17,20)(H,21,22)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-benzamido-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of -0.31, 5 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-(methylamino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16737183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).