CID 89058382

C7H12BNO2 — CID 89058382

IUPAC—
SMILES[B]N1CCC(CC(=O)O)CC1
InChIInChI=1S/C7H12BNO2/c8-9-3-1-6(2-4-9)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyZBXVHEMESDVCBM-UHFFFAOYSA-N
MW152.99 g/mol
LogP0.26
Rot. Bonds2

About CID 89058382

CID 89058382 (PubChem CID 89058382) has the molecular formula C7H12BNO2 and a molecular weight of 152.99 g/mol.

Molecular Properties

Compound NameCID 89058382
PubChem CID89058382
Molecular FormulaC7H12BNO2
Molecular Weight152.99 g/mol
Exact Mass153.10
IUPAC Name—
SMILES[B]N1CCC(CC(=O)O)CC1
InChIInChI=1S/C7H12BNO2/c8-9-3-1-6(2-4-9)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyZBXVHEMESDVCBM-UHFFFAOYSA-N
XLogP0.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.99
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
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2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid
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2-(1-prop-2-ynoylpiperidin-4-yl)acetic acid
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2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
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CID 91193939
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]acetic acid
CID 78980454
2-(1-ethylazepan-4-yl)acetic acid
CID 65075692
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of CID 89058382?
The IUPAC name of CID 89058382 (CID 89058382) is not available.
What is the SMILES notation for CID 89058382?
The canonical SMILES for CID 89058382 is [B]N1CCC(CC(=O)O)CC1.
What is the InChIKey of CID 89058382?
The InChIKey is ZBXVHEMESDVCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BNO2/c8-9-3-1-6(2-4-9)5-7(10)11/h6H,1-5H2,(H,10,11).
What are the key properties of CID 89058382?
CID 89058382 has a molecular weight of 152.99 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89058382 is sourced from PubChem (CID 89058382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).