3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid

C20H25NO4S — CID 120520488

IUPAC3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
SMILESCOCc1ccsc1C(=O)NC(CC(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO4S/c1-20(2,3)15-7-5-13(6-8-15)16(11-17(22)23)21-19(24)18-14(12-25-4)9-10-26-18/h5-10,16H,11-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyMAELJAHBVRNYGA-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.14
Rot. Bonds7

About 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid

3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid (PubChem CID 120520488) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
PubChem CID120520488
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
SMILESCOCc1ccsc1C(=O)NC(CC(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO4S/c1-20(2,3)15-7-5-13(6-8-15)16(11-17(22)23)21-19(24)18-14(12-25-4)9-10-26-18/h5-10,16H,11-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyMAELJAHBVRNYGA-UHFFFAOYSA-N
XLogP4.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethoxyphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
CID 120512449
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
3-(4-tert-butylphenyl)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119209956
3-(4-tert-butylphenyl)-3-(5-methoxypentanoylamino)propanoic acid
CID 119209901
3-(4-tert-butylphenyl)-3-[(3-methoxybenzoyl)amino]propanoic acid
CID 3537441
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methoxymethyl)thiophene-2-carboxamide
CID 110009871
3-(3,5-dichlorophenyl)-2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
CID 120533052
3-(4-tert-butylphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 119209886
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 110007408
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
CID 5038466
N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide
CID 113274753

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid (CID 120520488) is 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid is COCc1ccsc1C(=O)NC(CC(=O)O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid?
The InChIKey is MAELJAHBVRNYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-20(2,3)15-7-5-13(6-8-15)16(11-17(22)23)21-19(24)18-14(12-25-4)9-10-26-18/h5-10,16H,11-12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid?
3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid has a molecular weight of 375.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120520488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).