ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate

C9H12ClNO2S — CID 62962765

IUPACethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S/c1-2-13-9(12)7(11)5-6-3-4-8(10)14-6/h3-4,7H,2,5,11H2,1H3
InChIKeyMEIVGUZSNWTNNF-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.83
Rot. Bonds4

About ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate

ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate (PubChem CID 62962765) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
PubChem CID62962765
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Nameethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S/c1-2-13-9(12)7(11)5-6-3-4-8(10)14-6/h3-4,7H,2,5,11H2,1H3
InChIKeyMEIVGUZSNWTNNF-UHFFFAOYSA-N
XLogP1.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate
CID 124854439
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1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
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ethyl 2-amino-3-[5-[2-(dimethoxymethyl)phenyl]thiophen-2-yl]propanoate
CID 170885796
ethyl 2-amino-3-[5-(3-bromophenyl)thiophen-2-yl]propanoate
CID 170885651
ethyl 2-amino-3-(2-bromo-1,3-thiazol-5-yl)propanoate
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ethyl 2-(5-chlorothiophen-2-yl)-2-sulfanylacetate
CID 170987502
1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
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2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
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ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
CID 170884905

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate (CID 62962765) is ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate is CCOC(=O)C(N)Cc1ccc(Cl)s1.
What is the InChIKey of ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate?
The InChIKey is MEIVGUZSNWTNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-2-13-9(12)7(11)5-6-3-4-8(10)14-6/h3-4,7H,2,5,11H2,1H3.
What are the key properties of ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate?
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate has a molecular weight of 233.72 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate is sourced from PubChem (CID 62962765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).