(2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide

C11H21N5O3 — CID 167003457

About (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide

(2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide (PubChem CID 167003457) has the molecular formula C11H21N5O3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide.

Molecular Properties

• Compound Name: (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide
• PubChem CID: 167003457
• Molecular Formula: C11H21N5O3
• Molecular Weight: 271.32 g/mol
• Exact Mass: 271.16
• IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide
• SMILES: CC(C)(C=O)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
• InChI: InChI=1S/C11H21N5O3/c1-11(2,6-17)9(19)16-7(8(12)18)4-3-5-15-10(13)14/h6-7H,3-5H2,1-2H3,(H2,12,18)(H,16,19)(H4,13,14,15)/t7-/m1/s1
• InChIKey: PKQBOEPJGUQMJI-SSDOTTSWSA-N
• XLogP: -1.76
• TPSA: 153.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.32
LogP ≤ 5	-1.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide?

The IUPAC name of (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide (CID 167003457) is (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide.

What is the SMILES notation for (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide?

The canonical SMILES for (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide is CC(C)(C=O)C(=O)N[C@H](CCCN=C(N)N)C(N)=O.

What is the InChIKey of (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide?

The InChIKey is PKQBOEPJGUQMJI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H21N5O3/c1-11(2,6-17)9(19)16-7(8(12)18)4-3-5-15-10(13)14/h6-7H,3-5H2,1-2H3,(H2,12,18)(H,16,19)(H4,13,14,15)/t7-/m1/s1.

What are the key properties of (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide?

(2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide has a molecular weight of 271.32 g/mol, XLogP of -1.76, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-(diaminomethylideneamino)-2-[(2,2-dimethyl-3-oxopropanoyl)amino]pentanamide is sourced from PubChem (CID 167003457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).