[(1R)-1,5-diaminopentyl]boronic acid

C5H15BN2O2 — CID 5287803

IUPAC[(1R)-1,5-diaminopentyl]boronic acid
SMILESNCCCC[C@H](N)B(O)O
InChIInChI=1S/C5H15BN2O2/c7-4-2-1-3-5(8)6(9)10/h5,9-10H,1-4,7-8H2/t5-/m0/s1
InChIKeyPZVAGZRLDYQMPS-YFKPBYRVSA-N
MW146.00 g/mol
LogP-1.55
Rot. Bonds5

About [(1R)-1,5-diaminopentyl]boronic acid

[(1R)-1,5-diaminopentyl]boronic acid (PubChem CID 5287803) has the molecular formula C5H15BN2O2 and a molecular weight of 146.00 g/mol. Its IUPAC name is [(1R)-1,5-diaminopentyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1,5-diaminopentyl]boronic acid
PubChem CID5287803
Molecular FormulaC5H15BN2O2
Molecular Weight146.00 g/mol
Exact Mass146.12
IUPAC Name[(1R)-1,5-diaminopentyl]boronic acid
SMILESNCCCC[C@H](N)B(O)O
InChIInChI=1S/C5H15BN2O2/c7-4-2-1-3-5(8)6(9)10/h5,9-10H,1-4,7-8H2/t5-/m0/s1
InChIKeyPZVAGZRLDYQMPS-YFKPBYRVSA-N
XLogP-1.55
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.00
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1-amino-4-chlorobutyl)boronic acid
CID 10419362
14-aminotetradecane-1,1-diol
CID 87370531
pentacosane-1,13,25-triamine
CID 174653759
1,6-diaminohexan-1-ol
CID 57008257
octane-1,4,8-triamine
CID 18544198
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
butylboronic acid;(6S)-heptane-1,6-diamine
CID 145219482
2-methyldecane-1,1,10-triamine
CID 175230718
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
9-amino-5-methylnonan-1-ol
CID 57209196
1-bromododecane-1,12-diamine
CID 175488635

Frequently Asked Questions

What is the IUPAC name of [(1R)-1,5-diaminopentyl]boronic acid?
The IUPAC name of [(1R)-1,5-diaminopentyl]boronic acid (CID 5287803) is [(1R)-1,5-diaminopentyl]boronic acid.
What is the SMILES notation for [(1R)-1,5-diaminopentyl]boronic acid?
The canonical SMILES for [(1R)-1,5-diaminopentyl]boronic acid is NCCCC[C@H](N)B(O)O.
What is the InChIKey of [(1R)-1,5-diaminopentyl]boronic acid?
The InChIKey is PZVAGZRLDYQMPS-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H15BN2O2/c7-4-2-1-3-5(8)6(9)10/h5,9-10H,1-4,7-8H2/t5-/m0/s1.
What are the key properties of [(1R)-1,5-diaminopentyl]boronic acid?
[(1R)-1,5-diaminopentyl]boronic acid has a molecular weight of 146.00 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1,5-diaminopentyl]boronic acid is sourced from PubChem (CID 5287803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).