2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid

C17H19NO4S — CID 120540500

IUPAC2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid
SMILESCOCc1ccsc1C(=O)N(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C17H19NO4S/c1-22-12-14-8-10-23-16(14)17(21)18(11-15(19)20)9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,19,20)
InChIKeyVEVIUQBVBMTHRJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.66
Rot. Bonds8

About 2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid

2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid (PubChem CID 120540500) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid
PubChem CID120540500
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid
SMILESCOCc1ccsc1C(=O)N(CCc1ccccc1)CC(=O)O
InChIInChI=1S/C17H19NO4S/c1-22-12-14-8-10-23-16(14)17(21)18(11-15(19)20)9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,19,20)
InChIKeyVEVIUQBVBMTHRJ-UHFFFAOYSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
CID 120516155
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
CID 61389348
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347338
2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347170
N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide
CID 110007853
3-[4-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]phenyl]propanoic acid
CID 120528332
3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid
CID 65488572
2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
N-(methoxymethyl)-N-(2-phenylethyl)acetamide
CID 102037583
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid (CID 120540500) is 2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid is COCc1ccsc1C(=O)N(CCc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid?
The InChIKey is VEVIUQBVBMTHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-22-12-14-8-10-23-16(14)17(21)18(11-15(19)20)9-7-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,19,20).
What are the key properties of 2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid?
2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid has a molecular weight of 333.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 120540500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).