ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate

C8H12ClNO3 — CID 155893544

IUPACethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)CCl)CC1
InChIInChI=1S/C8H12ClNO3/c1-2-13-7(12)8(3-4-8)10-6(11)5-9/h2-5H2,1H3,(H,10,11)
InChIKeyZACCBWISPIWXRN-UHFFFAOYSA-N
MW205.64 g/mol
LogP0.44
Rot. Bonds4

About ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate

ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate (PubChem CID 155893544) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate
PubChem CID155893544
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Nameethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)CCl)CC1
InChIInChI=1S/C8H12ClNO3/c1-2-13-7(12)8(3-4-8)10-6(11)5-9/h2-5H2,1H3,(H,10,11)
InChIKeyZACCBWISPIWXRN-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
CID 53399515
ethyl 1-(3-oxobutanoylamino)cyclobutane-1-carboxylate
CID 88904490
1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide
CID 130608806
ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate
CID 103439526
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518
ethyl 1-[(4-bromo-3-methylthiophene-2-carbonyl)amino]cyclopropane-1-carboxylate
CID 146291405
ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate
CID 123318540
ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate
CID 103439478
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate
CID 67520206
ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate
CID 13282852
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
2-chloro-N-(1-ethylcyclohexyl)acetamide
CID 58186241

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate (CID 155893544) is ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate is CCOC(=O)C1(NC(=O)CCl)CC1.
What is the InChIKey of ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate?
The InChIKey is ZACCBWISPIWXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO3/c1-2-13-7(12)8(3-4-8)10-6(11)5-9/h2-5H2,1H3,(H,10,11).
What are the key properties of ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate?
ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate has a molecular weight of 205.64 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 155893544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).