5-[(N'-propylcarbamimidoyl)amino]pentanoic acid

C9H19N3O2 — CID 163528176

IUPAC5-[(N'-propylcarbamimidoyl)amino]pentanoic acid
SMILESCCC/N=C(\N)NCCCCC(=O)O
InChIInChI=1S/C9H19N3O2/c1-2-6-11-9(10)12-7-4-3-5-8(13)14/h2-7H2,1H3,(H,13,14)(H3,10,11,12)
InChIKeyDQQHCCLDQMCVLU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.56
Rot. Bonds7

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

5-[(N'-propylcarbamimidoyl)amino]pentanoic acid (PubChem CID 163528176) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-[(N'-propylcarbamimidoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(N'-propylcarbamimidoyl)amino]pentanoic acid
PubChem CID163528176
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name5-[(N'-propylcarbamimidoyl)amino]pentanoic acid
SMILESCCC/N=C(\N)NCCCCC(=O)O
InChIInChI=1S/C9H19N3O2/c1-2-6-11-9(10)12-7-4-3-5-8(13)14/h2-7H2,1H3,(H,13,14)(H3,10,11,12)
InChIKeyDQQHCCLDQMCVLU-UHFFFAOYSA-N
XLogP0.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
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'}

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Related Compounds

benzyl 5-[(N'-propylcarbamimidoyl)amino]pentanoate;hydroiodide
CID 110028931
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
1-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-6-oxohexyl]-2-propylguanidine
CID 111098563
1-(3-cyclopropylpropyl)-2-propylguanidine
CID 115679595
1-hexyl-2-(3-methylsulfonylpropyl)guanidine
CID 111067170
7-(butylcarbamoylamino)heptanoic acid
CID 28786256
16-(butanoylamino)hexadecanoic acid
CID 118711043
2-[[amino(propylamino)methylidene]amino]acetic acid
CID 87703719
1-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-propylguanidine
CID 111810690
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
1,2-dibutylguanidine;phosphoric acid
CID 166600390
3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
CID 111077863

Frequently Asked Questions

What is the IUPAC name of 5-[(N'-propylcarbamimidoyl)amino]pentanoic acid?
The IUPAC name of 5-[(N'-propylcarbamimidoyl)amino]pentanoic acid (CID 163528176) is 5-[(N'-propylcarbamimidoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(N'-propylcarbamimidoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(N'-propylcarbamimidoyl)amino]pentanoic acid is CCC/N=C(\N)NCCCCC(=O)O.
What is the InChIKey of 5-[(N'-propylcarbamimidoyl)amino]pentanoic acid?
The InChIKey is DQQHCCLDQMCVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-6-11-9(10)12-7-4-3-5-8(13)14/h2-7H2,1H3,(H,13,14)(H3,10,11,12).
What are the key properties of 5-[(N'-propylcarbamimidoyl)amino]pentanoic acid?
5-[(N'-propylcarbamimidoyl)amino]pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N'-propylcarbamimidoyl)amino]pentanoic acid is sourced from PubChem (CID 163528176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).