2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid

C12H18N2O4S — CID 113264821

IUPAC2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
SMILESCOc1ccsc1C(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-13(2)5-6-14(8-10(15)16)12(17)11-9(18-3)4-7-19-11/h4,7H,5-6,8H2,1-3H3,(H,15,16)
InChIKeyKZOBQZSDBIJRTG-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.85
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid (PubChem CID 113264821) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
PubChem CID113264821
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
SMILESCOc1ccsc1C(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-13(2)5-6-14(8-10(15)16)12(17)11-9(18-3)4-7-19-11/h4,7H,5-6,8H2,1-3H3,(H,15,16)
InChIKeyKZOBQZSDBIJRTG-UHFFFAOYSA-N
XLogP0.85
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxythiophene-2-carbonyl)-prop-2-enylamino]acetic acid
CID 81126707
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide
CID 81124193
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 115772776
2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid
CID 107424156
N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
CID 104859465
2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
CID 120516155
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
CID 61389348
N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide
CID 81116669
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 78954717
N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81122322
2-[(1,1-dioxothiolan-3-yl)-(3-methoxythiophene-2-carbonyl)amino]acetic acid
CID 81116813

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid (CID 113264821) is 2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid is COc1ccsc1C(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid?
The InChIKey is KZOBQZSDBIJRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-13(2)5-6-14(8-10(15)16)12(17)11-9(18-3)4-7-19-11/h4,7H,5-6,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid has a molecular weight of 286.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 113264821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).