ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate

C11H15ClN2O2 — CID 170884905

IUPACethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O2/c1-2-16-11(15)10(14)6-7-5-8(12)3-4-9(7)13/h3-5,10H,2,6,13-14H2,1H3
InChIKeyQEDCGVCITPPWLA-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.36
Rot. Bonds4

About ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate

ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate (PubChem CID 170884905) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
PubChem CID170884905
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Nameethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O2/c1-2-16-11(15)10(14)6-7-5-8(12)3-4-9(7)13/h3-5,10H,2,6,13-14H2,1H3
InChIKeyQEDCGVCITPPWLA-UHFFFAOYSA-N
XLogP1.36
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.36
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

diethyl 2-[(5-chloro-2-fluorophenyl)methyl]propanedioate
CID 15707363
ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate
CID 131698761
ethyl 2-amino-3-(5-chloro-2-hydroxy-3-methoxyphenyl)propanoate
CID 112694609
ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate
CID 170885305
ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate
CID 83197938
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
CID 121221786
ethyl 2-amino-4-[(2,5-dichlorophenyl)methylsulfanyl]butanoate
CID 65317915
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
ethyl 2-amino-3-(5-chloro-2-hydroxy-3-nitrophenyl)propanoate
CID 170885278
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
4-chloro-2-propylaniline
CID 23348961
ethyl 2-amino-3-[5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl]propanoate
CID 170885412

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate (CID 170884905) is ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate is CCOC(=O)C(N)Cc1cc(Cl)ccc1N.
What is the InChIKey of ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate?
The InChIKey is QEDCGVCITPPWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-16-11(15)10(14)6-7-5-8(12)3-4-9(7)13/h3-5,10H,2,6,13-14H2,1H3.
What are the key properties of ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate?
ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate has a molecular weight of 242.71 g/mol, XLogP of 1.36, 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-(2-amino-5-chlorophenyl)propanoate is sourced from PubChem (CID 170884905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).