methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid

C7H16BNO — CID 58845539

IUPACmethyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid
SMILESCB(O)N[C@H]1CC[C@@H](C)C1
InChIInChI=1S/C7H16BNO/c1-6-3-4-7(5-6)9-8(2)10/h6-7,9-10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyZYRKGQQXNQLSDM-RQJHMYQMSA-N
MW141.02 g/mol
LogP0.87
Rot. Bonds2

About methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid

methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid (PubChem CID 58845539) has the molecular formula C7H16BNO and a molecular weight of 141.02 g/mol. Its IUPAC name is methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid.

Molecular Properties

Compound Namemethyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid
PubChem CID58845539
Molecular FormulaC7H16BNO
Molecular Weight141.02 g/mol
Exact Mass141.13
IUPAC Namemethyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid
SMILESCB(O)N[C@H]1CC[C@@H](C)C1
InChIInChI=1S/C7H16BNO/c1-6-3-4-7(5-6)9-8(2)10/h6-7,9-10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyZYRKGQQXNQLSDM-RQJHMYQMSA-N
XLogP0.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.02
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid?
The IUPAC name of methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid (CID 58845539) is methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid.
What is the SMILES notation for methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid?
The canonical SMILES for methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid is CB(O)N[C@H]1CC[C@@H](C)C1.
What is the InChIKey of methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid?
The InChIKey is ZYRKGQQXNQLSDM-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H16BNO/c1-6-3-4-7(5-6)9-8(2)10/h6-7,9-10H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid?
methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid has a molecular weight of 141.02 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid is sourced from PubChem (CID 58845539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).