methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate

C10H14N2O3S — CID 79613507

IUPACmethyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
SMILESCOC(=O)[C@H](C)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C10H14N2O3S/c1-6(10(14)15-2)12-4-8-3-7(5-16-8)9(11)13/h3,5-6,12H,4H2,1-2H3,(H2,11,13)/t6-/m0/s1
InChIKeyLFFHDOTVYXXOMZ-LURJTMIESA-N
MW242.30 g/mol
LogP0.50
Rot. Bonds5

About methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate

methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate (PubChem CID 79613507) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
PubChem CID79613507
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
SMILESCOC(=O)[C@H](C)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C10H14N2O3S/c1-6(10(14)15-2)12-4-8-3-7(5-16-8)9(11)13/h3,5-6,12H,4H2,1-2H3,(H2,11,13)/t6-/m0/s1
InChIKeyLFFHDOTVYXXOMZ-LURJTMIESA-N
XLogP0.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]thiophene-3-carboxamide
CID 79614506
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide
CID 79614623
5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79606562
5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79613799
methyl 2-[(4-phenylthiophen-2-yl)methylamino]propanoate
CID 61018262
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79613876
5-[(heptan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79614425
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613364
5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate (CID 79613507) is methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate is COC(=O)[C@H](C)NCc1cc(C(N)=O)cs1.
What is the InChIKey of methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate?
The InChIKey is LFFHDOTVYXXOMZ-LURJTMIESA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6(10(14)15-2)12-4-8-3-7(5-16-8)9(11)13/h3,5-6,12H,4H2,1-2H3,(H2,11,13)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate?
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate has a molecular weight of 242.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate is sourced from PubChem (CID 79613507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).