(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid

C₁₁H₂₀N₂O₄ — CID 107839891

About (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid

(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107839891) has the molecular formula C₁₁H₂₀N₂O₄ and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

• Compound Name: (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid
• PubChem CID: 107839891
• Molecular Formula: C₁₁H₂₀N₂O₄
• Molecular Weight: 244.29 g/mol
• Exact Mass: 244.14
• IUPAC Name: (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid
• SMILES: CC1(C)CCCN1C(=O)NCC[C@H](O)C(=O)O
• InChI: InChI=1S/C11H20N2O4/c1-11(2)5-3-7-13(11)10(17)12-6-4-8(14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m0/s1
• InChIKey: OHPLZKMLHKYHML-QMMMGPOBSA-N
• XLogP: 0.41
• TPSA: 89.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.29
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid?

The IUPAC name of (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid (CID 107839891) is (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid.

What is the SMILES notation for (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid?

The canonical SMILES for (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid is CC1(C)CCCN1C(=O)NCC[C@H](O)C(=O)O.

What is the InChIKey of (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid?

The InChIKey is OHPLZKMLHKYHML-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2)5-3-7-13(11)10(17)12-6-4-8(14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m0/s1.

What are the key properties of (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid?

(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107839891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107839891 — identifiers, structure, computed properties (public domain)

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