amino 5-aminopentanoate

C5H12N2O2 — CID 22929227

IUPACamino 5-aminopentanoate
SMILESNCCCCC(=O)ON
InChIInChI=1S/C5H12N2O2/c6-4-2-1-3-5(8)9-7/h1-4,6-7H2
InChIKeyHRJVMJUNPSPRGW-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.47
Rot. Bonds4

About amino 5-aminopentanoate

amino 5-aminopentanoate (PubChem CID 22929227) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is amino 5-aminopentanoate.

Molecular Properties

Compound Nameamino 5-aminopentanoate
PubChem CID22929227
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Nameamino 5-aminopentanoate
SMILESNCCCCC(=O)ON
InChIInChI=1S/C5H12N2O2/c6-4-2-1-3-5(8)9-7/h1-4,6-7H2
InChIKeyHRJVMJUNPSPRGW-UHFFFAOYSA-N
XLogP-0.47
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

amino 8-aminooctanoate
CID 87659694
diamino tetradecanedioate
CID 174564109
sodium;diamino heptanedioate;hydride
CID 174435177
cyclohexane;diamino decanedioate
CID 70626371
9-aminononanoyl 12-aminododecanoate
CID 88667925
6-aminohexaneperoxoic acid
CID 22717715
12-aminododecaneperoxoic acid
CID 19931514
methyl 10-aminodecanoate
CID 10655700
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
bis(3-aminopropyl) hexadecanedioate
CID 100956713
ethyl 16-aminohexadecanoate;hydrobromide
CID 173405590
amino 12-oxododecanoate
CID 57157171

Frequently Asked Questions

What is the IUPAC name of amino 5-aminopentanoate?
The IUPAC name of amino 5-aminopentanoate (CID 22929227) is amino 5-aminopentanoate.
What is the SMILES notation for amino 5-aminopentanoate?
The canonical SMILES for amino 5-aminopentanoate is NCCCCC(=O)ON.
What is the InChIKey of amino 5-aminopentanoate?
The InChIKey is HRJVMJUNPSPRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-4-2-1-3-5(8)9-7/h1-4,6-7H2.
What are the key properties of amino 5-aminopentanoate?
amino 5-aminopentanoate has a molecular weight of 132.16 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 5-aminopentanoate is sourced from PubChem (CID 22929227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).