ethyl (2S)-2-(thiophen-2-ylamino)propanoate

C9H13NO2S — CID 18391602

IUPACethyl (2S)-2-(thiophen-2-ylamino)propanoate
SMILESCCOC(=O)[C@H](C)Nc1cccs1
InChIInChI=1S/C9H13NO2S/c1-3-12-9(11)7(2)10-8-5-4-6-13-8/h4-7,10H,3H2,1-2H3/t7-/m0/s1
InChIKeySJJPVIOPPVINAP-ZETCQYMHSA-N
MW199.27 g/mol
LogP2.11
Rot. Bonds4

About ethyl (2S)-2-(thiophen-2-ylamino)propanoate

ethyl (2S)-2-(thiophen-2-ylamino)propanoate (PubChem CID 18391602) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is ethyl (2S)-2-(thiophen-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(thiophen-2-ylamino)propanoate
PubChem CID18391602
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Nameethyl (2S)-2-(thiophen-2-ylamino)propanoate
SMILESCCOC(=O)[C@H](C)Nc1cccs1
InChIInChI=1S/C9H13NO2S/c1-3-12-9(11)7(2)10-8-5-4-6-13-8/h4-7,10H,3H2,1-2H3/t7-/m0/s1
InChIKeySJJPVIOPPVINAP-ZETCQYMHSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thienylglycine
CID 21071957
(2S)-2-(thiophen-2-ylamino)propanoic acid
CID 18339629
2-Thienyl-DL-alanine
CID 18378025
Thienyl-serine
CID 54412027
Thienyl-DL-alanine ethyl ester
CID 21851071
Thienyl-DL-alanine ethyl ester hydrochloride
CID 129689928
5-{[2-(Ethenyloxy)ethyl]-amino}thiophene
CID 132276195
3-(Thiophen-2-ylamino)-3h-furan-2-one
CID 170458365
3-Hydroxy-2-(thiophen-2-ylamino)propanoic acid
CID 17815789
Cyclopentyl 2-(thiophen-2-ylamino)acetate
CID 18415694
Tert-butyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 19002032
Methyl 2-(thiophen-2-ylamino)propanoate
CID 19094227

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(thiophen-2-ylamino)propanoate?
The IUPAC name of ethyl (2S)-2-(thiophen-2-ylamino)propanoate (CID 18391602) is ethyl (2S)-2-(thiophen-2-ylamino)propanoate.
What is the SMILES notation for ethyl (2S)-2-(thiophen-2-ylamino)propanoate?
The canonical SMILES for ethyl (2S)-2-(thiophen-2-ylamino)propanoate is CCOC(=O)[C@H](C)Nc1cccs1.
What is the InChIKey of ethyl (2S)-2-(thiophen-2-ylamino)propanoate?
The InChIKey is SJJPVIOPPVINAP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-12-9(11)7(2)10-8-5-4-6-13-8/h4-7,10H,3H2,1-2H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-(thiophen-2-ylamino)propanoate?
ethyl (2S)-2-(thiophen-2-ylamino)propanoate has a molecular weight of 199.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(thiophen-2-ylamino)propanoate is sourced from PubChem (CID 18391602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).