5-amino-2-[amino(pentyl)amino]pentanoic acid

C10H23N3O2 — CID 88759033

IUPAC5-amino-2-[amino(pentyl)amino]pentanoic acid
SMILESCCCCCN(N)C(CCCN)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-2-3-4-8-13(12)9(10(14)15)6-5-7-11/h9H,2-8,11-12H2,1H3,(H,14,15)
InChIKeyZCFMCPMAOAZMLV-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.54
Rot. Bonds9

About 5-amino-2-[amino(pentyl)amino]pentanoic acid

5-amino-2-[amino(pentyl)amino]pentanoic acid (PubChem CID 88759033) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-amino-2-[amino(pentyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[amino(pentyl)amino]pentanoic acid
PubChem CID88759033
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name5-amino-2-[amino(pentyl)amino]pentanoic acid
SMILESCCCCCN(N)C(CCCN)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-2-3-4-8-13(12)9(10(14)15)6-5-7-11/h9H,2-8,11-12H2,1H3,(H,14,15)
InChIKeyZCFMCPMAOAZMLV-UHFFFAOYSA-N
XLogP0.54
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
CID 158112465
CID 158112465
(2S)-2-[amino(pentyl)amino]-5-(diaminomethylideneamino)pentanoic acid;2-chloroacetaldehyde
CID 175320092
2-(dimethylamino)pentanoic acid;dodecan-1-amine
CID 172752605
(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
CID 150390621
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
(2S)-2-aminopropanoic acid;2-[bis(2-aminoethyl)amino]tetradecanoic acid
CID 87338408
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-(didecylamino)pentanoic acid
CID 101314079
(2S)-6-amino-2-[[[(1S)-1-carboxypentyl]amino]-hydroxyamino]hexanoic acid
CID 87564744
2-[amino(pentyl)amino]-3-methylpentanoic acid
CID 174299571

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[amino(pentyl)amino]pentanoic acid?
The IUPAC name of 5-amino-2-[amino(pentyl)amino]pentanoic acid (CID 88759033) is 5-amino-2-[amino(pentyl)amino]pentanoic acid.
What is the SMILES notation for 5-amino-2-[amino(pentyl)amino]pentanoic acid?
The canonical SMILES for 5-amino-2-[amino(pentyl)amino]pentanoic acid is CCCCCN(N)C(CCCN)C(=O)O.
What is the InChIKey of 5-amino-2-[amino(pentyl)amino]pentanoic acid?
The InChIKey is ZCFMCPMAOAZMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-2-3-4-8-13(12)9(10(14)15)6-5-7-11/h9H,2-8,11-12H2,1H3,(H,14,15).
What are the key properties of 5-amino-2-[amino(pentyl)amino]pentanoic acid?
5-amino-2-[amino(pentyl)amino]pentanoic acid has a molecular weight of 217.31 g/mol, XLogP of 0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[amino(pentyl)amino]pentanoic acid is sourced from PubChem (CID 88759033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).