2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid

C12H17NO3S — CID 61389348

IUPAC2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1sccc1CC
InChIInChI=1S/C12H17NO3S/c1-3-6-13(8-10(14)15)12(16)11-9(4-2)5-7-17-11/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeyYZMHQDFTFKHFDH-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.25
Rot. Bonds6

About 2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid

2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid (PubChem CID 61389348) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
PubChem CID61389348
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1sccc1CC
InChIInChI=1S/C12H17NO3S/c1-3-6-13(8-10(14)15)12(16)11-9(4-2)5-7-17-11/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeyYZMHQDFTFKHFDH-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261549
2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
CID 120516155
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 120540500
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
3-ethyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 113351138
3-amino-N-ethyl-N-propylthiophene-2-carboxamide
CID 61095166
2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
CID 113264821
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid (CID 61389348) is 2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1sccc1CC.
What is the InChIKey of 2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid?
The InChIKey is YZMHQDFTFKHFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-6-13(8-10(14)15)12(16)11-9(4-2)5-7-17-11/h5,7H,3-4,6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid?
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid has a molecular weight of 255.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 61389348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).