2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid

C10H11N3O3S — CID 43442383

IUPAC2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C10H11N3O3S/c1-13(6-9(15)16)5-8(14)12-10-7(4-11)2-3-17-10/h2-3H,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyFJFMNAGKCRUBAX-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.57
Rot. Bonds5

About 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid

2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442383) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442383
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C10H11N3O3S/c1-13(6-9(15)16)5-8(14)12-10-7(4-11)2-3-17-10/h2-3H,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyFJFMNAGKCRUBAX-UHFFFAOYSA-N
XLogP0.57
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126
N-(3-cyanothiophen-2-yl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692603
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 9198259
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274861
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79652535
N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221696
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945166
ethyl 3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011639
N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711621
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60838489
N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015152
N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028916

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid (CID 43442383) is 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid is CN(CC(=O)O)CC(=O)Nc1sccc1C#N.
What is the InChIKey of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is FJFMNAGKCRUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-13(6-9(15)16)5-8(14)12-10-7(4-11)2-3-17-10/h2-3H,5-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 253.28 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).