5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid

C8H10N2O3S — CID 84680344

IUPAC5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
SMILESCNC(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C8H10N2O3S/c1-9-8(13)10-4-5-2-3-6(14-5)7(11)12/h2-3H,4H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyDDFDZDPZDVSQGN-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.88
Rot. Bonds3

About 5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid

5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 84680344) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
PubChem CID84680344
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
SMILESCNC(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C8H10N2O3S/c1-9-8(13)10-4-5-2-3-6(14-5)7(11)12/h2-3H,4H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyDDFDZDPZDVSQGN-UHFFFAOYSA-N
XLogP0.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103263988
5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110239
5-[(3,5-dimethylhexanoylamino)methyl]thiophene-2-carboxylic acid
CID 122110661
5-[[(4-propan-2-ylbenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110529
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110563
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103238410
5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 11392290
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122111081
5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110493
5-[[[2-methyl-2-(4-methylphenyl)propanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110642
5-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103261480

Frequently Asked Questions

What is the IUPAC name of 5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid (CID 84680344) is 5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid is CNC(=O)NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is DDFDZDPZDVSQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-9-8(13)10-4-5-2-3-6(14-5)7(11)12/h2-3H,4H2,1H3,(H,11,12)(H2,9,10,13).
What are the key properties of 5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid?
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 84680344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).