ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate

C15H20ClNO4 — CID 63632576

IUPACethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate
SMILESCCOC(=O)C(NC1CC1)c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C15H20ClNO4/c1-4-21-15(18)13(17-9-5-6-9)10-7-8-11(19-2)14(20-3)12(10)16/h7-9,13,17H,4-6H2,1-3H3
InChIKeyZXZUXHSJOILPTE-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.71
Rot. Bonds7

About ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate

ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate (PubChem CID 63632576) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate
PubChem CID63632576
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Nameethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate
SMILESCCOC(=O)C(NC1CC1)c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C15H20ClNO4/c1-4-21-15(18)13(17-9-5-6-9)10-7-8-11(19-2)14(20-3)12(10)16/h7-9,13,17H,4-6H2,1-3H3
InChIKeyZXZUXHSJOILPTE-UHFFFAOYSA-N
XLogP2.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate
CID 54918547
methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116857346
2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide
CID 63632739
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
CID 63632709
methyl 4-amino-3-(2-chloro-3,4-dimethoxyphenyl)butanoate
CID 66098501
methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate
CID 54918830
methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
CID 171202030
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
CID 81146015
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
ethyl 2-(4-tert-butylphenyl)-2-(cyclopropylamino)acetate
CID 60796035
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate
CID 56839274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate?
The IUPAC name of ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate (CID 63632576) is ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate?
The canonical SMILES for ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate is CCOC(=O)C(NC1CC1)c1ccc(OC)c(OC)c1Cl.
What is the InChIKey of ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate?
The InChIKey is ZXZUXHSJOILPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-4-21-15(18)13(17-9-5-6-9)10-7-8-11(19-2)14(20-3)12(10)16/h7-9,13,17H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate?
ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate has a molecular weight of 313.78 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-(cyclopropylamino)acetate is sourced from PubChem (CID 63632576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).