ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate

C11H13Cl2NO2 — CID 11043551

IUPACethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-2-16-11(15)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10H,2,6,14H2,1H3/t10-/m0/s1
InChIKeyLANKMDGGAKSWPA-JTQLQIEISA-N
MW262.14 g/mol
LogP2.43
Rot. Bonds4

About ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate

ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate (PubChem CID 11043551) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
PubChem CID11043551
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Nameethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-2-16-11(15)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10H,2,6,14H2,1H3/t10-/m0/s1
InChIKeyLANKMDGGAKSWPA-JTQLQIEISA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
tert-butyl 2-amino-3-(3,4-dichlorophenyl)propanoate
CID 83226012
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
methyl (2R)-2-amino-3-(3-amino-4-chlorophenyl)propanoate
CID 171238207
ethyl (2S)-2-amino-3-(4-chlorosulfonylphenyl)propanoate
CID 167724205
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
ethyl (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoate
CID 54333119
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
pentyl 2-amino-3-(3-chloro-4-methoxyphenyl)propanoate
CID 5276844
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate?
The IUPAC name of ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate (CID 11043551) is ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate is CCOC(=O)[C@@H](N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate?
The InChIKey is LANKMDGGAKSWPA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-2-16-11(15)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10H,2,6,14H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate?
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate has a molecular weight of 262.14 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate is sourced from PubChem (CID 11043551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).