methyl 2-(thiophene-2-carbonylamino)propanoate

C9H11NO3S — CID 531387

IUPACmethyl 2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)C(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)
InChIKeyRGWBJRKEIGMOOW-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.04
Rot. Bonds3

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

methyl 2-(thiophene-2-carbonylamino)propanoate (PubChem CID 531387) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl 2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(thiophene-2-carbonylamino)propanoate
PubChem CID531387
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl 2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)C(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)
InChIKeyRGWBJRKEIGMOOW-UHFFFAOYSA-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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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
nonyl 2-(thiophene-2-carbonylamino)propanoate
CID 6422194
methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
CID 3042859
3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 4067887
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea
CID 18164638
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996

Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of methyl 2-(thiophene-2-carbonylamino)propanoate (CID 531387) is methyl 2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for methyl 2-(thiophene-2-carbonylamino)propanoate is COC(=O)C(C)NC(=O)c1cccs1.
What is the InChIKey of methyl 2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is RGWBJRKEIGMOOW-UHFFFAOYSA-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).
What are the key properties of methyl 2-(thiophene-2-carbonylamino)propanoate?
methyl 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 2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 531387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).