ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate

C15H17ClN2O2 — CID 170884750

IUPACethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate
SMILESCCOC(=O)C(N)Cc1cccn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c1-2-20-15(19)14(17)10-13-4-3-9-18(13)12-7-5-11(16)6-8-12/h3-9,14H,2,10,17H2,1H3
InChIKeyBUAIRFQKJVSKKN-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.56
Rot. Bonds5

About ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate

ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate (PubChem CID 170884750) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate
PubChem CID170884750
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Nameethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate
SMILESCCOC(=O)C(N)Cc1cccn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c1-2-20-15(19)14(17)10-13-4-3-9-18(13)12-7-5-11(16)6-8-12/h3-9,14H,2,10,17H2,1H3
InChIKeyBUAIRFQKJVSKKN-UHFFFAOYSA-N
XLogP2.56
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
1-[1-(3,5-dichlorophenyl)pyrrol-2-yl]butan-2-amine
CID 170888658
ethyl (2S)-2-amino-3-(4-pyrrol-1-ylphenyl)propanoate
CID 91576121
ethyl 2-amino-3-(4-pyrrol-1-ylphenyl)propanoate
CID 170884995
ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
CID 170884905
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl (2S)-2-amino-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate;hydrochloride
CID 70109180
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate
CID 170885096
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-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate?
The IUPAC name of ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate (CID 170884750) is ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate is CCOC(=O)C(N)Cc1cccn1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate?
The InChIKey is BUAIRFQKJVSKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-20-15(19)14(17)10-13-4-3-9-18(13)12-7-5-11(16)6-8-12/h3-9,14H,2,10,17H2,1H3.
What are the key properties of ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate?
ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate has a molecular weight of 292.77 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[1-(4-chlorophenyl)pyrrol-2-yl]propanoate is sourced from PubChem (CID 170884750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).