(2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid

C12H22N6O8 — CID 71736998

About (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid

(2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 71736998) has the molecular formula C12H22N6O8 and a molecular weight of 378.34 g/mol. Its IUPAC name is (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid
• PubChem CID: 71736998
• Molecular Formula: C12H22N6O8
• Molecular Weight: 378.34 g/mol
• Exact Mass: 378.15
• IUPAC Name: (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid
• SMILES: CC(O)[C@@H](N)C(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)N[C@H](CO)C(=O)O
• InChI: InChI=1S/C12H22N6O8/c1-4(20)8(14)10(23)18-17-9(22)5(2-7(13)21)15-12(26)16-6(3-19)11(24)25/h4-6,8,19-20H,2-3,14H2,1H3,(H2,13,21)(H,17,22)(H,18,23)(H,24,25)(H2,15,16,26)/t4?,5-,6-,8-/m1/s1
• InChIKey: FKJKTVOPJBTSNZ-XTDYQPQNSA-N
• XLogP: -5.17
• TPSA: 246.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.34
LogP ≤ 5	-5.17
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid?

The IUPAC name of (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid (CID 71736998) is (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid.

What is the SMILES notation for (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid?

The canonical SMILES for (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid is CC(O)[C@@H](N)C(=O)NNC(=O)[C@@H](CC(N)=O)NC(=O)N[C@H](CO)C(=O)O.

What is the InChIKey of (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid?

The InChIKey is FKJKTVOPJBTSNZ-XTDYQPQNSA-N. The full InChI is InChI=1S/C12H22N6O8/c1-4(20)8(14)10(23)18-17-9(22)5(2-7(13)21)15-12(26)16-6(3-19)11(24)25/h4-6,8,19-20H,2-3,14H2,1H3,(H2,13,21)(H,17,22)(H,18,23)(H,24,25)(H2,15,16,26)/t4?,5-,6-,8-/m1/s1.

What are the key properties of (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid?

(2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 378.34 g/mol, XLogP of -5.17, 9 rotatable bonds, 9 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(2R)-4-amino-1-[2-[(2R)-2-amino-3-hydroxybutanoyl]hydrazinyl]-1,4-dioxobutan-2-yl]carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 71736998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).