(3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C19H25N5O2 — CID 120935633

About (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 120935633) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
• PubChem CID: 120935633
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
• SMILES: C[C@H](c1ccccc1)N(CC(N)=O)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1
• InChI: InChI=1S/C19H25N5O2/c1-13(14-6-4-3-5-7-14)24(12-18(20)25)19(26)17-10-21-9-16(17)15-8-22-23(2)11-15/h3-8,11,13,16-17,21H,9-10,12H2,1-2H3,(H2,20,25)/t13-,16-,17+/m1/s1
• InChIKey: CSUDYPPWGDOOAM-XYPHTWIQSA-N
• XLogP: 0.80
• TPSA: 93.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 120935633) is (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is C[C@H](c1ccccc1)N(CC(N)=O)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.

What is the InChIKey of (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?

The InChIKey is CSUDYPPWGDOOAM-XYPHTWIQSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(14-6-4-3-5-7-14)24(12-18(20)25)19(26)17-10-21-9-16(17)15-8-22-23(2)11-15/h3-8,11,13,16-17,21H,9-10,12H2,1-2H3,(H2,20,25)/t13-,16-,17+/m1/s1.

What are the key properties of (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?

(3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-N-(2-amino-2-oxoethyl)-4-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 120935633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).