4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol

C5H11BN2O2 — CID 20668569

IUPAC4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol
SMILESNC1CN(CB=O)CC1O
InChIInChI=1S/C5H11BN2O2/c7-4-1-8(3-6-10)2-5(4)9/h4-5,9H,1-3,7H2
InChIKeyVLKNWCITEPJDAE-UHFFFAOYSA-N
MW141.97 g/mol
LogP-2.00
Rot. Bonds2

About 4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol

4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol (PubChem CID 20668569) has the molecular formula C5H11BN2O2 and a molecular weight of 141.97 g/mol. Its IUPAC name is 4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol
PubChem CID20668569
Molecular FormulaC5H11BN2O2
Molecular Weight141.97 g/mol
Exact Mass142.09
IUPAC Name4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol
SMILESNC1CN(CB=O)CC1O
InChIInChI=1S/C5H11BN2O2/c7-4-1-8(3-6-10)2-5(4)9/h4-5,9H,1-3,7H2
InChIKeyVLKNWCITEPJDAE-UHFFFAOYSA-N
XLogP-2.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.97
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(oxoboranylmethyl)piperidine-4-carboxylic acid
CID 54070788
(3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid
CID 69429414
3-amino-4-hydroxypyrrolidine-1-carbaldehyde
CID 135165674
1-(aminomethyl)pyrrolidine-3,4-diol
CID 67191860
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410228
(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
CID 158152274
(3R,4R)-4-amino-1-[[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154905569
1-(2-aminoethyl)pyrrolidine-3,4-diol
CID 72789543
1-(aminomethyl)piperidine-3,4,5-triol
CID 67340037
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
CID 106670158

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol?
The IUPAC name of 4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol (CID 20668569) is 4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol is NC1CN(CB=O)CC1O.
What is the InChIKey of 4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol?
The InChIKey is VLKNWCITEPJDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BN2O2/c7-4-1-8(3-6-10)2-5(4)9/h4-5,9H,1-3,7H2.
What are the key properties of 4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol?
4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol has a molecular weight of 141.97 g/mol, XLogP of -2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(oxoboranylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 20668569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).