CID 58530153

C7H14BN2O2 — CID 58530153

IUPAC—
SMILESCO[C@H]1CN([B]C=O)CC[C@H]1N
InChIInChI=1S/C7H14BN2O2/c1-12-7-4-10(8-5-11)3-2-6(7)9/h5-7H,2-4,9H2,1H3/t6-,7+/m1/s1
InChIKeyDHWCRNPNGXSXAU-RQJHMYQMSA-N
MW169.01 g/mol
LogP-1.16
Rot. Bonds3

About CID 58530153

CID 58530153 (PubChem CID 58530153) has the molecular formula C7H14BN2O2 and a molecular weight of 169.01 g/mol.

Molecular Properties

Compound NameCID 58530153
PubChem CID58530153
Molecular FormulaC7H14BN2O2
Molecular Weight169.01 g/mol
Exact Mass169.11
IUPAC Name—
SMILESCO[C@H]1CN([B]C=O)CC[C@H]1N
InChIInChI=1S/C7H14BN2O2/c1-12-7-4-10(8-5-11)3-2-6(7)9/h5-7H,2-4,9H2,1H3/t6-,7+/m1/s1
InChIKeyDHWCRNPNGXSXAU-RQJHMYQMSA-N
XLogP-1.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.01
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
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(3R,4R)-4-methoxy-1-methylpyrrolidin-3-amine;dihydrochloride
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4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
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Frequently Asked Questions

What is the IUPAC name of CID 58530153?
The IUPAC name of CID 58530153 (CID 58530153) is not available.
What is the SMILES notation for CID 58530153?
The canonical SMILES for CID 58530153 is CO[C@H]1CN([B]C=O)CC[C@H]1N.
What is the InChIKey of CID 58530153?
The InChIKey is DHWCRNPNGXSXAU-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14BN2O2/c1-12-7-4-10(8-5-11)3-2-6(7)9/h5-7H,2-4,9H2,1H3/t6-,7+/m1/s1.
What are the key properties of CID 58530153?
CID 58530153 has a molecular weight of 169.01 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58530153 is sourced from PubChem (CID 58530153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).