ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate

C13H18ClNO3 — CID 4026471

IUPACethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(N)c1cc(Cl)ccc1OCC
InChIInChI=1S/C13H18ClNO3/c1-4-17-11-7-6-9(14)8-10(11)13(3,15)12(16)18-5-2/h6-8H,4-5,15H2,1-3H3
InChIKeyQDAJTQVBMLHLHU-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.48
Rot. Bonds5

About ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate

ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate (PubChem CID 4026471) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate
PubChem CID4026471
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Nameethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(N)c1cc(Cl)ccc1OCC
InChIInChI=1S/C13H18ClNO3/c1-4-17-11-7-6-9(14)8-10(11)13(3,15)12(16)18-5-2/h6-8H,4-5,15H2,1-3H3
InChIKeyQDAJTQVBMLHLHU-UHFFFAOYSA-N
XLogP2.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
ethyl 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanoate
CID 117049944
ethyl 3-(2,4-dichlorophenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62399185
ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
CID 118647040
ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate
CID 5027980
ethyl (3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171251366
2-(5-chloro-2-ethoxyphenyl)-6-fluorobenzamide
CID 72866292
4-chloro-2-ethoxybenzamide
CID 126998915
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
2-[(5-chloro-2-methoxyphenyl)methyl]-3-ethoxy-2-fluoro-3-oxopropanoic acid
CID 69019894
ethyl (3S)-3-amino-3-[4-chloro-2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171227139

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate (CID 4026471) is ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate is CCOC(=O)C(C)(N)c1cc(Cl)ccc1OCC.
What is the InChIKey of ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate?
The InChIKey is QDAJTQVBMLHLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-4-17-11-7-6-9(14)8-10(11)13(3,15)12(16)18-5-2/h6-8H,4-5,15H2,1-3H3.
What are the key properties of ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate?
ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate has a molecular weight of 271.74 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate is sourced from PubChem (CID 4026471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).