1-(oxoboranylmethyl)piperidine-4-carboxylic acid

C7H12BNO3 — CID 54070788

IUPAC1-(oxoboranylmethyl)piperidine-4-carboxylic acid
SMILESO=BCN1CCC(C(=O)O)CC1
InChIInChI=1S/C7H12BNO3/c10-7(11)6-1-3-9(4-2-6)5-8-12/h6H,1-5H2,(H,10,11)
InChIKeyMGGZPHGLIPLUNJ-UHFFFAOYSA-N
MW168.99 g/mol
LogP-0.21
Rot. Bonds3

About 1-(oxoboranylmethyl)piperidine-4-carboxylic acid

1-(oxoboranylmethyl)piperidine-4-carboxylic acid (PubChem CID 54070788) has the molecular formula C7H12BNO3 and a molecular weight of 168.99 g/mol. Its IUPAC name is 1-(oxoboranylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(oxoboranylmethyl)piperidine-4-carboxylic acid
PubChem CID54070788
Molecular FormulaC7H12BNO3
Molecular Weight168.99 g/mol
Exact Mass169.09
IUPAC Name1-(oxoboranylmethyl)piperidine-4-carboxylic acid
SMILESO=BCN1CCC(C(=O)O)CC1
InChIInChI=1S/C7H12BNO3/c10-7(11)6-1-3-9(4-2-6)5-8-12/h6H,1-5H2,(H,10,11)
InChIKeyMGGZPHGLIPLUNJ-UHFFFAOYSA-N
XLogP-0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid
CID 60872449
1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
CID 6484124
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
CID 83855153
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
1-(2-methylbutyl)piperidine-4-carboxylic acid
CID 62104958
1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
CID 65213026
piperidine-1,4-dicarboxylic acid
CID 18542445

Frequently Asked Questions

What is the IUPAC name of 1-(oxoboranylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(oxoboranylmethyl)piperidine-4-carboxylic acid (CID 54070788) is 1-(oxoboranylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(oxoboranylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(oxoboranylmethyl)piperidine-4-carboxylic acid is O=BCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(oxoboranylmethyl)piperidine-4-carboxylic acid?
The InChIKey is MGGZPHGLIPLUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BNO3/c10-7(11)6-1-3-9(4-2-6)5-8-12/h6H,1-5H2,(H,10,11).
What are the key properties of 1-(oxoboranylmethyl)piperidine-4-carboxylic acid?
1-(oxoboranylmethyl)piperidine-4-carboxylic acid has a molecular weight of 168.99 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxoboranylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 54070788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).