[(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid

C10H19BN2O3 — CID 24804309

IUPAC[(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid
SMILESN[C@@H](CC1CC1)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C10H19BN2O3/c12-8(6-7-3-4-7)10(14)13-5-1-2-9(13)11(15)16/h7-9,15-16H,1-6,12H2/t8-,9-/m0/s1
InChIKeyNGDCTNACLXSLPV-IUCAKERBSA-N
MW226.08 g/mol
LogP-0.88
Rot. Bonds4

About [(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid (PubChem CID 24804309) has the molecular formula C10H19BN2O3 and a molecular weight of 226.08 g/mol. Its IUPAC name is [(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid
PubChem CID24804309
Molecular FormulaC10H19BN2O3
Molecular Weight226.08 g/mol
Exact Mass226.15
IUPAC Name[(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid
SMILESN[C@@H](CC1CC1)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C10H19BN2O3/c12-8(6-7-3-4-7)10(14)13-5-1-2-9(13)11(15)16/h7-9,15-16H,1-6,12H2/t8-,9-/m0/s1
InChIKeyNGDCTNACLXSLPV-IUCAKERBSA-N
XLogP-0.88
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
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-aminopentanoyl)pyrrolidin-2-yl]boronic acid
CID 59336843
[(2R)-1-[(3S)-2-amino-3-fluorobutanoyl]pyrrolidin-2-yl]boronic acid
CID 171429235
[1-(2-ethylpentanoyl)pyrrolidin-2-yl]boronic acid
CID 143049678
[1-[2-amino-2-(1-methylcyclopropyl)acetyl]pyrrolidin-2-yl]boronic acid
CID 142450590
[1-[2-amino-2-(1-methylcyclohexyl)acetyl]pyrrolidin-2-yl]boronic acid
CID 142450579
methyl (2S)-1-(2-amino-3-cyclohexylpropanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 174947725
ethyl 2-[(2S)-1-(2-amino-3-cyclopentylpropanoyl)pyrrolidin-2-yl]-2-oxoacetate
CID 173252396
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
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
[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 11368811
[(2R)-1-[2-[[(2S)-2-[(2-amino-2-cyclohexylacetyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]boronic acid
CID 70876607
(2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 112735279

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid (CID 24804309) is [(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid is N[C@@H](CC1CC1)C(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is NGDCTNACLXSLPV-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19BN2O3/c12-8(6-7-3-4-7)10(14)13-5-1-2-9(13)11(15)16/h7-9,15-16H,1-6,12H2/t8-,9-/m0/s1.
What are the key properties of [(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 226.08 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 [(2R)-1-[(2S)-2-amino-3-cyclopropylpropanoyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 24804309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).