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

C10H21BN2O3 — CID 10176937

IUPAC[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C10H21BN2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9,15-16H,3-6,12H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyMQHXRECXBSFFAH-CIUDSAMLSA-N
MW228.10 g/mol
LogP-0.64
Rot. Bonds4

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

[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid (PubChem CID 10176937) has the molecular formula C10H21BN2O3 and a molecular weight of 228.10 g/mol. Its IUPAC name is [(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid
PubChem CID10176937
Molecular FormulaC10H21BN2O3
Molecular Weight228.10 g/mol
Exact Mass228.16
IUPAC Name[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C10H21BN2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9,15-16H,3-6,12H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyMQHXRECXBSFFAH-CIUDSAMLSA-N
XLogP-0.64
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 5-0.64
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

Talabostat
CID 6918572
D-Val-L-boroPro
CID 9942554
(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
((R)-1-((S)-2,6-Diaminohexanoyl)pyrrolidin-2-yl)boronic acid
CID 10538170
[(2R)-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]boronic acid
CID 10584166
(S)-2-(S)-Amino-1-(2-boron-dihydroxide-pyrrolidine)-3-methyl-butan-1-one
CID 10798659
Leu-boroPro
CID 44306777
Chg-boroPro
CID 57689732
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159
L-leucyl-L-prolinamide
CID 11557656
L-valyl-L-prolinamide
CID 11615440
Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid (CID 10176937) is [(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid is CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is MQHXRECXBSFFAH-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H21BN2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9,15-16H,3-6,12H2,1-2H3/t7-,8-,9-/m0/s1.
What are the key properties of [(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 228.10 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 10176937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).