methyl (2S)-2-amino-3-thiophen-2-ylpropanoate

C8H11NO2S — CID 10899351

IUPACmethyl (2S)-2-amino-3-thiophen-2-ylpropanoate
SMILESCOC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C8H11NO2S/c1-11-8(10)7(9)5-6-3-2-4-12-6/h2-4,7H,5,9H2,1H3/t7-/m0/s1
InChIKeyPNFKFTGEDLBMPB-ZETCQYMHSA-N
MW185.25 g/mol
LogP0.79
Rot. Bonds3

About methyl (2S)-2-amino-3-thiophen-2-ylpropanoate

methyl (2S)-2-amino-3-thiophen-2-ylpropanoate (PubChem CID 10899351) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-thiophen-2-ylpropanoate
PubChem CID10899351
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethyl (2S)-2-amino-3-thiophen-2-ylpropanoate
SMILESCOC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C8H11NO2S/c1-11-8(10)7(9)5-6-3-2-4-12-6/h2-4,7H,5,9H2,1H3/t7-/m0/s1
InChIKeyPNFKFTGEDLBMPB-ZETCQYMHSA-N
XLogP0.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
methyl 3-amino-5,5,5-trifluoro-2-(thiophen-2-ylmethyl)pentanoate
CID 171618098
methyl (3R)-3-amino-4-thiophen-2-ylbutanoate
CID 141263920
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate
CID 170884292
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
2-amino-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 69185144
methyl 2-(thiophen-2-ylmethyl)butanoate;methyl 3-thiophen-2-ylpropanoate
CID 158347877
1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine
CID 79492317
methyl 2-[(benzylamino)methyl]-3-thiophen-2-ylpropanoate
CID 102459242
ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
CID 177035877
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl (2S)-2-amino-3-thiophen-2-ylpropanoate (CID 10899351) is methyl (2S)-2-amino-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl (2S)-2-amino-3-thiophen-2-ylpropanoate is COC(=O)[C@@H](N)Cc1cccs1.
What is the InChIKey of methyl (2S)-2-amino-3-thiophen-2-ylpropanoate?
The InChIKey is PNFKFTGEDLBMPB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-11-8(10)7(9)5-6-3-2-4-12-6/h2-4,7H,5,9H2,1H3/t7-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-thiophen-2-ylpropanoate?
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate has a molecular weight of 185.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 10899351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).