2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride

C7H17ClN4O2 — CID 18768034

IUPAC2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride
SMILESCC(N)(CCCN=C(N)N)C(=O)O.Cl
InChIInChI=1S/C7H16N4O2.ClH/c1-7(10,5(12)13)3-2-4-11-6(8)9;/h2-4,10H2,1H3,(H,12,13)(H4,8,9,11);1H
InChIKeyVNBYRCMIQZNTRA-UHFFFAOYSA-N
MW224.69 g/mol
LogP-0.74
Rot. Bonds5

About 2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride

2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride (PubChem CID 18768034) has the molecular formula C7H17ClN4O2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride
PubChem CID18768034
Molecular FormulaC7H17ClN4O2
Molecular Weight224.69 g/mol
Exact Mass224.10
IUPAC Name2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride
SMILESCC(N)(CCCN=C(N)N)C(=O)O.Cl
InChIInChI=1S/C7H16N4O2.ClH/c1-7(10,5(12)13)3-2-4-11-6(8)9;/h2-4,10H2,1H3,(H,12,13)(H4,8,9,11);1H
InChIKeyVNBYRCMIQZNTRA-UHFFFAOYSA-N
XLogP-0.74
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride (CID 18768034) is 2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride is CC(N)(CCCN=C(N)N)C(=O)O.Cl.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride?
The InChIKey is VNBYRCMIQZNTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2.ClH/c1-7(10,5(12)13)3-2-4-11-6(8)9;/h2-4,10H2,1H3,(H,12,13)(H4,8,9,11);1H.
What are the key properties of 2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride?
2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of -0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)-2-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 18768034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).