(3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C13H23N3O5 — CID 5278237

About (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 5278237) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
• PubChem CID: 5278237
• Molecular Formula: C13H23N3O5
• Molecular Weight: 301.34 g/mol
• Exact Mass: 301.16
• IUPAC Name: (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
• SMILES: CC(C)N(CCCC(=O)O)C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1
• InChI: InChI=1S/C13H23N3O5/c1-8(2)16(5-3-4-11(17)18)13(21)15-6-9(12(19)20)10(14)7-15/h8-10H,3-7,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m0/s1
• InChIKey: JUAYSCHGXJCZSP-VHSXEESVSA-N
• XLogP: 0.03
• TPSA: 124.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.34
LogP ≤ 5	0.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?

The IUPAC name of (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 5278237) is (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

What is the SMILES notation for (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?

The canonical SMILES for (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC(C)N(CCCC(=O)O)C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1.

What is the InChIKey of (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?

The InChIKey is JUAYSCHGXJCZSP-VHSXEESVSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-8(2)16(5-3-4-11(17)18)13(21)15-6-9(12(19)20)10(14)7-15/h8-10H,3-7,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m0/s1.

What are the key properties of (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?

(3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 5278237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).