[(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury

C5H11ClHgN2O2 — CID 57422078

IUPAC[(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury
SMILESCO[C@@H](CNC(N)=O)C[Hg]Cl
InChIInChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/t4-;;/m1../s1
InChIKeyBJFGVYCULWBXKF-RZFWHQLPSA-M
MW367.20 g/mol
LogP0.32
Rot. Bonds5

About [(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury

[(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury (PubChem CID 57422078) has the molecular formula C5H11ClHgN2O2 and a molecular weight of 367.20 g/mol. Its IUPAC name is [(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury.

Molecular Properties

Compound Name[(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury
PubChem CID57422078
Molecular FormulaC5H11ClHgN2O2
Molecular Weight367.20 g/mol
Exact Mass368.02
IUPAC Name[(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury
SMILESCO[C@@H](CNC(N)=O)C[Hg]Cl
InChIInChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/t4-;;/m1../s1
InChIKeyBJFGVYCULWBXKF-RZFWHQLPSA-M
XLogP0.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury?
The IUPAC name of [(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury (CID 57422078) is [(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury.
What is the SMILES notation for [(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury?
The canonical SMILES for [(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury is CO[C@@H](CNC(N)=O)C[Hg]Cl.
What is the InChIKey of [(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury?
The InChIKey is BJFGVYCULWBXKF-RZFWHQLPSA-M. The full InChI is InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/t4-;;/m1../s1.
What are the key properties of [(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury?
[(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury has a molecular weight of 367.20 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury is sourced from PubChem (CID 57422078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).