[1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid

C9H19BN2O3 — CID 59336843

IUPAC[1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid
SMILESCCCC(N)C(=O)N1CCCC1B(O)O
InChIInChI=1S/C9H19BN2O3/c1-2-4-7(11)9(13)12-6-3-5-8(12)10(14)15/h7-8,14-15H,2-6,11H2,1H3
InChIKeyLVJQJXNVLIWBJD-UHFFFAOYSA-N
MW214.07 g/mol
LogP-0.88
Rot. Bonds4

About [1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid

[1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid (PubChem CID 59336843) has the molecular formula C9H19BN2O3 and a molecular weight of 214.07 g/mol. Its IUPAC name is [1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid
PubChem CID59336843
Molecular FormulaC9H19BN2O3
Molecular Weight214.07 g/mol
Exact Mass214.15
IUPAC Name[1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid
SMILESCCCC(N)C(=O)N1CCCC1B(O)O
InChIInChI=1S/C9H19BN2O3/c1-2-4-7(11)9(13)12-6-3-5-8(12)10(14)15/h7-8,14-15H,2-6,11H2,1H3
InChIKeyLVJQJXNVLIWBJD-UHFFFAOYSA-N
XLogP-0.88
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 5-0.88
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-4-(2-boronopyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid;[1-(2-aminobutanoyl)pyrrolidin-2-yl]boronic acid;[1-(2-amino-3,3-dimethylbutanoyl)pyrrolidin-2-yl]boronic acid;[1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid
CID 157167343
[1-(2-ethylpentanoyl)pyrrolidin-2-yl]boronic acid
CID 143049678
[(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid
CID 24804309
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminopentan-1-one
CID 102726243
1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43650356
[(2R)-1-[(3S)-2-amino-3-fluorobutanoyl]pyrrolidin-2-yl]boronic acid
CID 171429235
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
1-(2-aminopentanoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 119305878
2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119326462
[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid
CID 142450590
[1-(2-aminopentanoyl)piperidin-2-yl]methylurea
CID 119313331
2-[4-[2-[[(5S)-5-amino-6-[(2R)-2-boronopyrrolidin-1-yl]-6-oxohexyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 166034862

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid?
The IUPAC name of [1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid (CID 59336843) is [1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid is CCCC(N)C(=O)N1CCCC1B(O)O.
What is the InChIKey of [1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid?
The InChIKey is LVJQJXNVLIWBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BN2O3/c1-2-4-7(11)9(13)12-6-3-5-8(12)10(14)15/h7-8,14-15H,2-6,11H2,1H3.
What are the key properties of [1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid?
[1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid has a molecular weight of 214.07 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 59336843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).