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

C11H14ClNO2 — CID 587822

IUPACethyl 3-amino-3-(2-chlorophenyl)propanoate
SMILESCCOC(=O)CC(N)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3
InChIKeyCMHQPWVJHDPNEY-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.29
Rot. Bonds4

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

ethyl 3-amino-3-(2-chlorophenyl)propanoate (PubChem CID 587822) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 3-amino-3-(2-chlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(2-chlorophenyl)propanoate
PubChem CID587822
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl 3-amino-3-(2-chlorophenyl)propanoate
SMILESCCOC(=O)CC(N)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3
InChIKeyCMHQPWVJHDPNEY-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(2-chlorophenyl)propanoate?
The IUPAC name of ethyl 3-amino-3-(2-chlorophenyl)propanoate (CID 587822) is ethyl 3-amino-3-(2-chlorophenyl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(2-chlorophenyl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(2-chlorophenyl)propanoate is CCOC(=O)CC(N)c1ccccc1Cl.
What is the InChIKey of ethyl 3-amino-3-(2-chlorophenyl)propanoate?
The InChIKey is CMHQPWVJHDPNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3.
What are the key properties of ethyl 3-amino-3-(2-chlorophenyl)propanoate?
ethyl 3-amino-3-(2-chlorophenyl)propanoate has a molecular weight of 227.69 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(2-chlorophenyl)propanoate is sourced from PubChem (CID 587822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).