[(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid

C8H17BN2O3 — CID 11171627

IUPAC[(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid
SMILESCN[C@@H](C)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C8H17BN2O3/c1-6(10-2)8(12)11-5-3-4-7(11)9(13)14/h6-7,10,13-14H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyHLDORPKEVOTFJC-BQBZGAKWSA-N
MW200.05 g/mol
LogP-1.40
Rot. Bonds3

About [(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid (PubChem CID 11171627) has the molecular formula C8H17BN2O3 and a molecular weight of 200.05 g/mol. Its IUPAC name is [(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid
PubChem CID11171627
Molecular FormulaC8H17BN2O3
Molecular Weight200.05 g/mol
Exact Mass200.13
IUPAC Name[(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid
SMILESCN[C@@H](C)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C8H17BN2O3/c1-6(10-2)8(12)11-5-3-4-7(11)9(13)14/h6-7,10,13-14H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyHLDORPKEVOTFJC-BQBZGAKWSA-N
XLogP-1.40
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.05
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid (CID 11171627) is [(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid is CN[C@@H](C)C(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is HLDORPKEVOTFJC-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17BN2O3/c1-6(10-2)8(12)11-5-3-4-7(11)9(13)14/h6-7,10,13-14H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of [(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 200.05 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 11171627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).