methyl (2S)-2-(thiophene-2-carbonylamino)propanoate

C9H11NO3S — CID 22212224

IUPACmethyl (2S)-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cccs1
InChIInChI=1S/C9H11NO3S/c1-6(9(12)13-2)10-8(11)7-4-3-5-14-7/h3-6H,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyRGWBJRKEIGMOOW-LURJTMIESA-N
MW213.26 g/mol
LogP1.04
Rot. Bonds3

About methyl (2S)-2-(thiophene-2-carbonylamino)propanoate

methyl (2S)-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 22212224) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl (2S)-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(thiophene-2-carbonylamino)propanoate
PubChem CID22212224
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl (2S)-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cccs1
InChIInChI=1S/C9H11NO3S/c1-6(9(12)13-2)10-8(11)7-4-3-5-14-7/h3-6H,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyRGWBJRKEIGMOOW-LURJTMIESA-N
XLogP1.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of methyl (2S)-2-(thiophene-2-carbonylamino)propanoate (CID 22212224) is methyl (2S)-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(thiophene-2-carbonylamino)propanoate is COC(=O)[C@H](C)NC(=O)c1cccs1.
What is the InChIKey of methyl (2S)-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is RGWBJRKEIGMOOW-LURJTMIESA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6(9(12)13-2)10-8(11)7-4-3-5-14-7/h3-6H,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-(thiophene-2-carbonylamino)propanoate?
methyl (2S)-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 213.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 22212224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).