4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid

C10H20BN5O4 — CID 170795382

IUPAC4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid
SMILESNC(CCCCB(O)O)c1nnnn1CCCC(=O)O
InChIInChI=1S/C10H20BN5O4/c12-8(4-1-2-6-11(19)20)10-13-14-15-16(10)7-3-5-9(17)18/h8,19-20H,1-7,12H2,(H,17,18)
InChIKeyGOUHCRMVMOBJFG-UHFFFAOYSA-N
MW285.11 g/mol
LogP-0.82
Rot. Bonds10

About 4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid

4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid (PubChem CID 170795382) has the molecular formula C10H20BN5O4 and a molecular weight of 285.11 g/mol. Its IUPAC name is 4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid
PubChem CID170795382
Molecular FormulaC10H20BN5O4
Molecular Weight285.11 g/mol
Exact Mass285.16
IUPAC Name4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid
SMILESNC(CCCCB(O)O)c1nnnn1CCCC(=O)O
InChIInChI=1S/C10H20BN5O4/c12-8(4-1-2-6-11(19)20)10-13-14-15-16(10)7-3-5-9(17)18/h8,19-20H,1-7,12H2,(H,17,18)
InChIKeyGOUHCRMVMOBJFG-UHFFFAOYSA-N
XLogP-0.82
TPSA147.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

[5-amino-5-[1-[2-(4-hydroxyphenyl)ethyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
CID 171057980
[5-amino-5-[1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795435
[5-amino-5-[1-[2-oxo-2-[(2,3,5,6-tetrafluorophenyl)methylamino]ethyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795439
[5-amino-5-[1-[2-oxo-2-[(2,4,6-trifluorophenyl)methylamino]ethyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
CID 171057999
[5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
CID 171057874
[5-amino-5-[1-[2-[(2,4-difluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795414
[5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795389
[6-amino-6-[1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]hexyl]boronic acid;hydrochloride
CID 171057962
1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
CID 103086687
[5-amino-5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)tetrazol-5-yl]pentoxy]boronic acid
CID 163282597
[5-amino-5-[1-[5-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]tetrazol-5-yl]pentyl]boronic acid
CID 170795463
4-[5-(3,5-dibromophenyl)tetrazol-1-yl]butanoic acid
CID 114023073

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid (CID 170795382) is 4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid is NC(CCCCB(O)O)c1nnnn1CCCC(=O)O.
What is the InChIKey of 4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid?
The InChIKey is GOUHCRMVMOBJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BN5O4/c12-8(4-1-2-6-11(19)20)10-13-14-15-16(10)7-3-5-9(17)18/h8,19-20H,1-7,12H2,(H,17,18).
What are the key properties of 4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid?
4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid has a molecular weight of 285.11 g/mol, XLogP of -0.82, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-amino-5-boronopentyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 170795382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).