2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine

C10H24N6O2 — CID 176521466

IUPAC2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine
SMILESCC(C)CC(N)C(=O)O.[H]/N=C(N)/N=C(\N)N(C)C
InChIInChI=1S/C6H13NO2.C4H11N5/c1-4(2)3-5(7)6(8)9;1-9(2)4(7)8-3(5)6/h4-5H,3,7H2,1-2H3,(H,8,9);1-2H3,(H5,5,6,7,8)
InChIKeyBFKRHMBFNXTMQD-UHFFFAOYSA-N
MW260.34 g/mol
LogP-0.80
Rot. Bonds3

About 2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine

2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine (PubChem CID 176521466) has the molecular formula C10H24N6O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine
PubChem CID176521466
Molecular FormulaC10H24N6O2
Molecular Weight260.34 g/mol
Exact Mass260.20
IUPAC Name2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine
SMILESCC(C)CC(N)C(=O)O.[H]/N=C(N)/N=C(\N)N(C)C
InChIInChI=1S/C6H13NO2.C4H11N5/c1-4(2)3-5(7)6(8)9;1-9(2)4(7)8-3(5)6/h4-5H,3,7H2,1-2H3,(H,8,9);1-2H3,(H5,5,6,7,8)
InChIKeyBFKRHMBFNXTMQD-UHFFFAOYSA-N
XLogP-0.80
TPSA154.81 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-methylbutanoic acid;2-carbamimidoyl-1,1-dimethylguanidine;hydrochloride
CID 176527635
2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
CID 176517740
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine?
The IUPAC name of 2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine (CID 176521466) is 2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine.
What is the SMILES notation for 2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine?
The canonical SMILES for 2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine is CC(C)CC(N)C(=O)O.[H]/N=C(N)/N=C(\N)N(C)C.
What is the InChIKey of 2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine?
The InChIKey is BFKRHMBFNXTMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C4H11N5/c1-4(2)3-5(7)6(8)9;1-9(2)4(7)8-3(5)6/h4-5H,3,7H2,1-2H3,(H,8,9);1-2H3,(H5,5,6,7,8).
What are the key properties of 2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine?
2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine has a molecular weight of 260.34 g/mol, XLogP of -0.80, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine is sourced from PubChem (CID 176521466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).