4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid

C14H20N2O4S — CID 66265939

IUPAC4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCC(Cc1cccs1)NC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H20N2O4S/c1-9(6-10-4-3-5-21-10)15-14(19)16(2)12-8-20-7-11(12)13(17)18/h3-5,9,11-12H,6-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPJAHTOORVCSPLS-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.42
Rot. Bonds5

About 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid

4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66265939) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID66265939
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCC(Cc1cccs1)NC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H20N2O4S/c1-9(6-10-4-3-5-21-10)15-14(19)16(2)12-8-20-7-11(12)13(17)18/h3-5,9,11-12H,6-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPJAHTOORVCSPLS-UHFFFAOYSA-N
XLogP1.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,6R)-6-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962113
2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66267510
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091889
4-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265729
4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267696
4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid
CID 66245055
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292320
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 114091890

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 66265939) is 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid is CC(Cc1cccs1)NC(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is PJAHTOORVCSPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9(6-10-4-3-5-21-10)15-14(19)16(2)12-8-20-7-11(12)13(17)18/h3-5,9,11-12H,6-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66265939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).