ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate

C11H14Cl2N2O2 — CID 131698761

IUPACethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate
SMILESCCOC(=O)C(N)Cc1c(N)ccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-2-17-11(16)9(15)5-6-8(14)4-3-7(12)10(6)13/h3-4,9H,2,5,14-15H2,1H3
InChIKeySAFJWRGXXQMRIM-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.01
Rot. Bonds4

About ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate

ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate (PubChem CID 131698761) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate
PubChem CID131698761
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Nameethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate
SMILESCCOC(=O)C(N)Cc1c(N)ccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-2-17-11(16)9(15)5-6-8(14)4-3-7(12)10(6)13/h3-4,9H,2,5,14-15H2,1H3
InChIKeySAFJWRGXXQMRIM-UHFFFAOYSA-N
XLogP2.01
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate
CID 170885096
ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
CID 170884905
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
ethyl 2-amino-3-(6-chloro-2-fluoro-3-methoxyphenyl)propanoate
CID 170885238
ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate
CID 170885417
ethyl 2-amino-3-(5-chloro-2-hydroxy-3,6-dimethylphenyl)propanoate
CID 170885710
ethyl 2-amino-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]propanoate
CID 170885336
ethyl 2-amino-3-(10-methylanthracen-9-yl)propanoate
CID 170885097
ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate
CID 170884948
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765
ethyl 2-amino-3-(2-chloro-1-methylindol-3-yl)propanoate
CID 170884911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate (CID 131698761) is ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate is CCOC(=O)C(N)Cc1c(N)ccc(Cl)c1Cl.
What is the InChIKey of ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate?
The InChIKey is SAFJWRGXXQMRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-2-17-11(16)9(15)5-6-8(14)4-3-7(12)10(6)13/h3-4,9H,2,5,14-15H2,1H3.
What are the key properties of ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate?
ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate has a molecular weight of 277.15 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate is sourced from PubChem (CID 131698761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).