ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate

C12H13Cl2NO2 — CID 82363645

IUPACethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(N)CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2NO2/c1-2-17-11(16)12(15)6-8(12)7-4-3-5-9(13)10(7)14/h3-5,8H,2,6,15H2,1H3
InChIKeyNYPWMDOWOATHSR-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.74
Rot. Bonds3

About ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate

ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate (PubChem CID 82363645) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
PubChem CID82363645
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Nameethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(N)CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2NO2/c1-2-17-11(16)12(15)6-8(12)7-4-3-5-9(13)10(7)14/h3-5,8H,2,6,15H2,1H3
InChIKeyNYPWMDOWOATHSR-UHFFFAOYSA-N
XLogP2.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2-methyl-6-(113C)methyl-(5,6-13C2)1,4-dihydropyridine-3,5-dicarboxylate
CID 169440420
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3333
ethyl 1-[(2,6-dichlorophenyl)methyl]cyclopropane-1-carboxylate
CID 125471436
dipropyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 141441215
cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine
CID 90212874
5-O-ethyl 3-O-(trideuterio(113C)methyl) 4-(2,3-dichlorophenyl)-2-methyl-6-(113C)methyl-(5,6-13C2)1,4-dihydropyridine-3,5-dicarboxylate
CID 76973107
ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate
CID 139219545
ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
CID 23549532
ethyl 6-(2,3-dichlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17442417
ethyl 1-amino-2-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylate
CID 102569033

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate (CID 82363645) is ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate is CCOC(=O)C1(N)CC1c1cccc(Cl)c1Cl.
What is the InChIKey of ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is NYPWMDOWOATHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-2-17-11(16)12(15)6-8(12)7-4-3-5-9(13)10(7)14/h3-5,8H,2,6,15H2,1H3.
What are the key properties of ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate?
ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 274.15 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 82363645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).