2-(3-chloropropanoylamino)ethyl carbamate

C6H11ClN2O3 — CID 83211648

IUPAC2-(3-chloropropanoylamino)ethyl carbamate
SMILESNC(=O)OCCNC(=O)CCCl
InChIInChI=1S/C6H11ClN2O3/c7-2-1-5(10)9-3-4-12-6(8)11/h1-4H2,(H2,8,11)(H,9,10)
InChIKeyBXAAYZGYOBYECN-UHFFFAOYSA-N
MW194.62 g/mol
LogP-0.17
Rot. Bonds5

About 2-(3-chloropropanoylamino)ethyl carbamate

2-(3-chloropropanoylamino)ethyl carbamate (PubChem CID 83211648) has the molecular formula C6H11ClN2O3 and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-(3-chloropropanoylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(3-chloropropanoylamino)ethyl carbamate
PubChem CID83211648
Molecular FormulaC6H11ClN2O3
Molecular Weight194.62 g/mol
Exact Mass194.05
IUPAC Name2-(3-chloropropanoylamino)ethyl carbamate
SMILESNC(=O)OCCNC(=O)CCCl
InChIInChI=1S/C6H11ClN2O3/c7-2-1-5(10)9-3-4-12-6(8)11/h1-4H2,(H2,8,11)(H,9,10)
InChIKeyBXAAYZGYOBYECN-UHFFFAOYSA-N
XLogP-0.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropanoylamino)ethyl carbamate?
The IUPAC name of 2-(3-chloropropanoylamino)ethyl carbamate (CID 83211648) is 2-(3-chloropropanoylamino)ethyl carbamate.
What is the SMILES notation for 2-(3-chloropropanoylamino)ethyl carbamate?
The canonical SMILES for 2-(3-chloropropanoylamino)ethyl carbamate is NC(=O)OCCNC(=O)CCCl.
What is the InChIKey of 2-(3-chloropropanoylamino)ethyl carbamate?
The InChIKey is BXAAYZGYOBYECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O3/c7-2-1-5(10)9-3-4-12-6(8)11/h1-4H2,(H2,8,11)(H,9,10).
What are the key properties of 2-(3-chloropropanoylamino)ethyl carbamate?
2-(3-chloropropanoylamino)ethyl carbamate has a molecular weight of 194.62 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropanoylamino)ethyl carbamate is sourced from PubChem (CID 83211648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).