3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid

C9H17BN2O5 — CID 11241996

IUPAC3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid
SMILESC[C@@H](B(O)O)N1CC[C@](N)(CCC(=O)O)C1=O
InChIInChI=1S/C9H17BN2O5/c1-6(10(16)17)12-5-4-9(11,8(12)15)3-2-7(13)14/h6,16-17H,2-5,11H2,1H3,(H,13,14)/t6-,9+/m0/s1
InChIKeyOJOOKZRENGNYMP-IMTBSYHQSA-N
MW244.06 g/mol
LogP-1.82
Rot. Bonds5

About 3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid

3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid (PubChem CID 11241996) has the molecular formula C9H17BN2O5 and a molecular weight of 244.06 g/mol. Its IUPAC name is 3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid
PubChem CID11241996
Molecular FormulaC9H17BN2O5
Molecular Weight244.06 g/mol
Exact Mass244.12
IUPAC Name3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid
SMILESC[C@@H](B(O)O)N1CC[C@](N)(CCC(=O)O)C1=O
InChIInChI=1S/C9H17BN2O5/c1-6(10(16)17)12-5-4-9(11,8(12)15)3-2-7(13)14/h6,16-17H,2-5,11H2,1H3,(H,13,14)/t6-,9+/m0/s1
InChIKeyOJOOKZRENGNYMP-IMTBSYHQSA-N
XLogP-1.82
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid (CID 11241996) is 3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid is C[C@@H](B(O)O)N1CC[C@](N)(CCC(=O)O)C1=O.
What is the InChIKey of 3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid?
The InChIKey is OJOOKZRENGNYMP-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H17BN2O5/c1-6(10(16)17)12-5-4-9(11,8(12)15)3-2-7(13)14/h6,16-17H,2-5,11H2,1H3,(H,13,14)/t6-,9+/m0/s1.
What are the key properties of 3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid?
3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid has a molecular weight of 244.06 g/mol, XLogP of -1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-amino-1-[(1R)-1-boronoethyl]-2-oxopyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 11241996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).