[(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide

C6H13BNO5- — CID 657085

IUPAC[(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide
SMILESN[C@@H](CC/C=C/[B-](O)(O)O)C(=O)O
InChIInChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1
InChIKeyCCCYGXMAMSUXAV-FYTLMZHYSA-N
MW189.98 g/mol
LogP-1.81
Rot. Bonds5

About [(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide

[(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide (PubChem CID 657085) has the molecular formula C6H13BNO5- and a molecular weight of 189.98 g/mol. Its IUPAC name is [(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide.

Molecular Properties

Compound Name[(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide
PubChem CID657085
Molecular FormulaC6H13BNO5-
Molecular Weight189.98 g/mol
Exact Mass190.09
IUPAC Name[(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide
SMILESN[C@@H](CC/C=C/[B-](O)(O)O)C(=O)O
InChIInChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1
InChIKeyCCCYGXMAMSUXAV-FYTLMZHYSA-N
XLogP-1.81
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.98
LogP ≤ 5-1.81
H-Bond Donors ≤ 55
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 [(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide?
The IUPAC name of [(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide (CID 657085) is [(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide.
What is the SMILES notation for [(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide?
The canonical SMILES for [(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide is N[C@@H](CC/C=C/[B-](O)(O)O)C(=O)O.
What is the InChIKey of [(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide?
The InChIKey is CCCYGXMAMSUXAV-FYTLMZHYSA-N. The full InChI is InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1.
What are the key properties of [(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide?
[(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide has a molecular weight of 189.98 g/mol, XLogP of -1.81, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide is sourced from PubChem (CID 657085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).