2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid

C15H20N2O5S — CID 155957320

IUPAC2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid
SMILESCOC(C)(C(=O)O)C(=O)NC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H20N2O5S/c1-15(22-2,14(20)21)13(19)16-10-5-7-17(8-6-10)12(18)11-4-3-9-23-11/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyCDWCYACGLMTLGP-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.96
Rot. Bonds5

About 2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid

2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid (PubChem CID 155957320) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid
PubChem CID155957320
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid
SMILESCOC(C)(C(=O)O)C(=O)NC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H20N2O5S/c1-15(22-2,14(20)21)13(19)16-10-5-7-17(8-6-10)12(18)11-4-3-9-23-11/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyCDWCYACGLMTLGP-UHFFFAOYSA-N
XLogP0.96
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 108566261
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
2-(4-ethoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108553957
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555881
N-[1-(2-methoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110820518
N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 71931543
N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 56522986

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid?
The IUPAC name of 2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid (CID 155957320) is 2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid is COC(C)(C(=O)O)C(=O)NC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid?
The InChIKey is CDWCYACGLMTLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-15(22-2,14(20)21)13(19)16-10-5-7-17(8-6-10)12(18)11-4-3-9-23-11/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid?
2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid has a molecular weight of 340.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-3-oxo-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 155957320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).