(2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide

C13H30N8O3 — CID 122462120

About (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide

(2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide (PubChem CID 122462120) has the molecular formula C13H30N8O3 and a molecular weight of 346.44 g/mol. Its IUPAC name is (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide.

Molecular Properties

• Compound Name: (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide
• PubChem CID: 122462120
• Molecular Formula: C13H30N8O3
• Molecular Weight: 346.44 g/mol
• Exact Mass: 346.24
• IUPAC Name: (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide
• SMILES: NCCC[C@@H](N)C(=O)N[C@H](CNN)C(=O)N[C@H](CCCN)C(N)=O
• InChI: InChI=1S/C13H30N8O3/c14-5-1-3-8(16)12(23)21-10(7-19-18)13(24)20-9(11(17)22)4-2-6-15/h8-10,19H,1-7,14-16,18H2,(H2,17,22)(H,20,24)(H,21,23)/t8-,9-,10-/m1/s1
• InChIKey: BAGALSSUAVAJDM-OPRDCNLKSA-N
• XLogP: -4.29
• TPSA: 217.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	346.44
LogP ≤ 5	-4.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide?

The IUPAC name of (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide (CID 122462120) is (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide.

What is the SMILES notation for (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide?

The canonical SMILES for (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide is NCCC[C@@H](N)C(=O)N[C@H](CNN)C(=O)N[C@H](CCCN)C(N)=O.

What is the InChIKey of (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide?

The InChIKey is BAGALSSUAVAJDM-OPRDCNLKSA-N. The full InChI is InChI=1S/C13H30N8O3/c14-5-1-3-8(16)12(23)21-10(7-19-18)13(24)20-9(11(17)22)4-2-6-15/h8-10,19H,1-7,14-16,18H2,(H2,17,22)(H,20,24)(H,21,23)/t8-,9-,10-/m1/s1.

What are the key properties of (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide?

(2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide has a molecular weight of 346.44 g/mol, XLogP of -4.29, 13 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 122462120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).