trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide

C9H18BN2O4- — CID 6102714

IUPACtrihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide
SMILESO=C([C@@H]1CCCN1)N1CCC[C@H]1[B-](O)(O)O
InChIInChI=1S/C9H18BN2O4/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14,15)16/h7-8,11,14-16H,1-6H2/q-1/t7-,8-/m0/s1
InChIKeyYYCWKWOORLFCEW-YUMQZZPRSA-N
MW229.06 g/mol
LogP-1.82
Rot. Bonds2

About trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide

trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide (PubChem CID 6102714) has the molecular formula C9H18BN2O4- and a molecular weight of 229.06 g/mol. Its IUPAC name is trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide.

Molecular Properties

Compound Nametrihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide
PubChem CID6102714
Molecular FormulaC9H18BN2O4-
Molecular Weight229.06 g/mol
Exact Mass229.14
IUPAC Nametrihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide
SMILESO=C([C@@H]1CCCN1)N1CCC[C@H]1[B-](O)(O)O
InChIInChI=1S/C9H18BN2O4/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14,15)16/h7-8,11,14-16H,1-6H2/q-1/t7-,8-/m0/s1
InChIKeyYYCWKWOORLFCEW-YUMQZZPRSA-N
XLogP-1.82
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
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 trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide?
The IUPAC name of trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide (CID 6102714) is trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide.
What is the SMILES notation for trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide?
The canonical SMILES for trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide is O=C([C@@H]1CCCN1)N1CCC[C@H]1[B-](O)(O)O.
What is the InChIKey of trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide?
The InChIKey is YYCWKWOORLFCEW-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18BN2O4/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14,15)16/h7-8,11,14-16H,1-6H2/q-1/t7-,8-/m0/s1.
What are the key properties of trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide?
trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide has a molecular weight of 229.06 g/mol, XLogP of -1.82, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[(2R)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boranuide is sourced from PubChem (CID 6102714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).