5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid

C10H14N2O3S — CID 103238410

IUPAC5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCCNC(=O)CNCc1ccc(C(=O)O)s1
InChIInChI=1S/C10H14N2O3S/c1-2-12-9(13)6-11-5-7-3-4-8(16-7)10(14)15/h3-4,11H,2,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyPQWOVVLYTAKOOL-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.67
Rot. Bonds6

About 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103238410) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID103238410
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCCNC(=O)CNCc1ccc(C(=O)O)s1
InChIInChI=1S/C10H14N2O3S/c1-2-12-9(13)6-11-5-7-3-4-8(16-7)10(14)15/h3-4,11H,2,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyPQWOVVLYTAKOOL-UHFFFAOYSA-N
XLogP0.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-Methylthiophen-2-yl)formamido]acetic acid
CID 2392412
5-({[(Tert-butoxy)carbonyl]amino}methyl)thiophene-2-carboxylic acid
CID 22350606
5-[({[1-(Cyclobutylcarbonyl)-4-piperidinyl]carbonyl}amino)methyl]-2-thiophenecarboxylic acid
CID 72890331
5-[(4-Methylpiperazin-1-yl)methyl]thiophene-2-carboxylic acid dihydrochloride
CID 132327533
5-(Tert-butylcarbamoyl)thiophene-2-carboxylic acid
CID 2314276
5-[(Dimethylamino)methyl]-2-thiophenecarboxylic acid
CID 4261499
5-(Diethylcarbamoyl)thiophene-2-carboxylic acid
CID 43414408
Alanyl-alpha-thiophenylglycine
CID 70403801
5-(Piperidin-1-ylmethyl)thiophene-2-carboxylic acid
CID 20099136
5-[(Trifluoroacetamido)methyl]thiophene-2-carboxylic acid
CID 21975911
5-[(2,2,3,3,3-Pentafluoropropanoylamino)methyl]thiophene-2-carboxylic acid
CID 21975923
5-(Pyrrolidin-2-YL)thiophene-2-carboxylic acid
CID 45791035

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid (CID 103238410) is 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid is CCNC(=O)CNCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is PQWOVVLYTAKOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-12-9(13)6-11-5-7-3-4-8(16-7)10(14)15/h3-4,11H,2,5-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103238410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).