[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid

C10H19BN2O3 — CID 142450590

IUPAC[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid
SMILESCC1(C(N)C(=O)N2CCCC2B(O)O)CC1
InChIInChI=1S/C10H19BN2O3/c1-10(4-5-10)8(12)9(14)13-6-2-3-7(13)11(15)16/h7-8,15-16H,2-6,12H2,1H3
InChIKeyVEWKBTTWHTZHER-UHFFFAOYSA-N
MW226.09 g/mol
LogP-0.88
Rot. Bonds3

About [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid

[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid (PubChem CID 142450590) has the molecular formula C10H19BN2O3 and a molecular weight of 226.09 g/mol. Its IUPAC name is [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid
PubChem CID142450590
Molecular FormulaC10H19BN2O3
Molecular Weight226.09 g/mol
Exact Mass226.15
IUPAC Name[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid
SMILESCC1(C(N)C(=O)N2CCCC2B(O)O)CC1
InChIInChI=1S/C10H19BN2O3/c1-10(4-5-10)8(12)9(14)13-6-2-3-7(13)11(15)16/h7-8,15-16H,2-6,12H2,1H3
InChIKeyVEWKBTTWHTZHER-UHFFFAOYSA-N
XLogP-0.88
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
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

[1-[2-amino-2-(1-methylcyclohexyl)acetyl]pyrrolidin-2-yl]boronic acid
CID 142450579
[(2R)-1-[(3S)-2-amino-3-fluorobutanoyl]pyrrolidin-2-yl]boronic acid
CID 171429235
[1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid
CID 59336843
[(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid
CID 24804309
[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 11368811
[1-(2-ethylpentanoyl)pyrrolidin-2-yl]boronic acid
CID 143049678
[1-(2-methylpropanoyl)pyrrolidin-2-yl]-N-oxoboronamidic acid
CID 143532560
[1-[(2R)-2-(ethylcarbamoylamino)-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid
CID 66777084
methyl-[1-[2-(1-methylcyclohexyl)-2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]borinic acid
CID 163833541
[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid
CID 143049707
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
[(2R)-1-[(2R)-1-[(2S)-2-[(2-amino-2-cyclohexylacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid
CID 70867048

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid (CID 142450590) is [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid is CC1(C(N)C(=O)N2CCCC2B(O)O)CC1.
What is the InChIKey of [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is VEWKBTTWHTZHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BN2O3/c1-10(4-5-10)8(12)9(14)13-6-2-3-7(13)11(15)16/h7-8,15-16H,2-6,12H2,1H3.
What are the key properties of [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid?
[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 226.09 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 142450590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).