[1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid

C7H15BN2O3 — CID 167854630

IUPAC[1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid
SMILESNCCC(=O)N1CCC(B(O)O)C1
InChIInChI=1S/C7H15BN2O3/c9-3-1-7(11)10-4-2-6(5-10)8(12)13/h6,12-13H,1-5,9H2
InChIKeyMNNQCBVVYXVUJW-UHFFFAOYSA-N
MW186.02 g/mol
LogP-1.59
Rot. Bonds3

About [1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid

[1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid (PubChem CID 167854630) has the molecular formula C7H15BN2O3 and a molecular weight of 186.02 g/mol. Its IUPAC name is [1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid.

Molecular Properties

Compound Name[1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid
PubChem CID167854630
Molecular FormulaC7H15BN2O3
Molecular Weight186.02 g/mol
Exact Mass186.12
IUPAC Name[1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid
SMILESNCCC(=O)N1CCC(B(O)O)C1
InChIInChI=1S/C7H15BN2O3/c9-3-1-7(11)10-4-2-6(5-10)8(12)13/h6,12-13H,1-5,9H2
InChIKeyMNNQCBVVYXVUJW-UHFFFAOYSA-N
XLogP-1.59
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.02
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one
CID 121327609
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 83854045
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
3-amino-1-[4-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 121200922
3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 53409663
3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494864
3-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494865
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one
CID 178062004
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid?
The IUPAC name of [1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid (CID 167854630) is [1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid.
What is the SMILES notation for [1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid?
The canonical SMILES for [1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid is NCCC(=O)N1CCC(B(O)O)C1.
What is the InChIKey of [1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid?
The InChIKey is MNNQCBVVYXVUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BN2O3/c9-3-1-7(11)10-4-2-6(5-10)8(12)13/h6,12-13H,1-5,9H2.
What are the key properties of [1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid?
[1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid has a molecular weight of 186.02 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid is sourced from PubChem (CID 167854630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).