5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid

C8H17N3O2 — CID 89284302

IUPAC5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid
SMILESC/N=C(\N)N(C)CCCCC(=O)O
InChIInChI=1S/C8H17N3O2/c1-10-8(9)11(2)6-4-3-5-7(12)13/h3-6H2,1-2H3,(H2,9,10)(H,12,13)
InChIKeySARFAFSBYFGPKR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.12
Rot. Bonds5

About 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid

5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid (PubChem CID 89284302) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid
PubChem CID89284302
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid
SMILESC/N=C(\N)N(C)CCCCC(=O)O
InChIInChI=1S/C8H17N3O2/c1-10-8(9)11(2)6-4-3-5-7(12)13/h3-6H2,1-2H3,(H2,9,10)(H,12,13)
InChIKeySARFAFSBYFGPKR-UHFFFAOYSA-N
XLogP0.12
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[carbamohydrazonoyl(methyl)amino]butanoic acid
CID 57260967
5-[carboxy(methyl)amino]pentanoic acid
CID 89340824
2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
CID 176517740
9-[dithiocarboxy(methyl)amino]nonanoic acid
CID 132584714
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
2-[methyl-(N'-methylcarbamimidoyl)amino]ethanesulfonic acid
CID 174323416
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
1-ethyl-1,2-dimethylguanidine
CID 21191499
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
CID 156569276

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid?
The IUPAC name of 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid (CID 89284302) is 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid?
The canonical SMILES for 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid is C/N=C(\N)N(C)CCCCC(=O)O.
What is the InChIKey of 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid?
The InChIKey is SARFAFSBYFGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-8(9)11(2)6-4-3-5-7(12)13/h3-6H2,1-2H3,(H2,9,10)(H,12,13).
What are the key properties of 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid?
5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid is sourced from PubChem (CID 89284302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).