chloro 2-(carbamoylamino)-2-chloroacetate

C3H4Cl2N2O3 — CID 174668904

IUPACchloro 2-(carbamoylamino)-2-chloroacetate
SMILESNC(=O)NC(Cl)C(=O)OCl
InChIInChI=1S/C3H4Cl2N2O3/c4-1(2(8)10-5)7-3(6)9/h1H,(H3,6,7,9)
InChIKeyOSCYMKDOABJFNW-UHFFFAOYSA-N
MW186.98 g/mol
LogP-0.08
Rot. Bonds2

About chloro 2-(carbamoylamino)-2-chloroacetate

chloro 2-(carbamoylamino)-2-chloroacetate (PubChem CID 174668904) has the molecular formula C3H4Cl2N2O3 and a molecular weight of 186.98 g/mol. Its IUPAC name is chloro 2-(carbamoylamino)-2-chloroacetate.

Molecular Properties

Compound Namechloro 2-(carbamoylamino)-2-chloroacetate
PubChem CID174668904
Molecular FormulaC3H4Cl2N2O3
Molecular Weight186.98 g/mol
Exact Mass185.96
IUPAC Namechloro 2-(carbamoylamino)-2-chloroacetate
SMILESNC(=O)NC(Cl)C(=O)OCl
InChIInChI=1S/C3H4Cl2N2O3/c4-1(2(8)10-5)7-3(6)9/h1H,(H3,6,7,9)
InChIKeyOSCYMKDOABJFNW-UHFFFAOYSA-N
XLogP-0.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.98
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(Carbamoylamino)-2-chloroacetic acid
CID 171618791

Frequently Asked Questions

What is the IUPAC name of chloro 2-(carbamoylamino)-2-chloroacetate?
The IUPAC name of chloro 2-(carbamoylamino)-2-chloroacetate (CID 174668904) is chloro 2-(carbamoylamino)-2-chloroacetate.
What is the SMILES notation for chloro 2-(carbamoylamino)-2-chloroacetate?
The canonical SMILES for chloro 2-(carbamoylamino)-2-chloroacetate is NC(=O)NC(Cl)C(=O)OCl.
What is the InChIKey of chloro 2-(carbamoylamino)-2-chloroacetate?
The InChIKey is OSCYMKDOABJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2N2O3/c4-1(2(8)10-5)7-3(6)9/h1H,(H3,6,7,9).
What are the key properties of chloro 2-(carbamoylamino)-2-chloroacetate?
chloro 2-(carbamoylamino)-2-chloroacetate has a molecular weight of 186.98 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-(carbamoylamino)-2-chloroacetate is sourced from PubChem (CID 174668904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).